![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-ona, 2-[[bis(4-metoxifenil)fenilmetoxi]metil]-2,3,3a,9a-tetrahidro-3-hidroxi-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-ona, 2-[[bis(4-metoxi fenil)fenilmetoxi]metil]-2,3,3a,9a-tetrahidro-3-hidroxi-, (2R,3R,3aS,9aR)- (9CI, ACI) Irudi nabarmena](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-ona, 2-[[bis(4-metoxifenil)fenilmetoxi]metil]-2,3,3a,9a-tetrahidro-3-hidroxi-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Ezaugarri fisiko nagusiak | Balioa | Baldintza |
| Pisu molekularra | 528,55 | - |
| Urtze-puntua (esperimentala) | 129,5-130 °C | - |
| Irakite-puntua (aurreikusita) | 688,2 ± 65,0 °C | Prentsa: 760 Torr |
| Dentsitatea (aurreikusita) | 1,35 ± 0,1 g/cm3 | Tenperatura: 20 °C; Presioa: 760 Torr |
| pKa (Aurreikusita) | 12,51±0,40 | Tenperatura azidoena: 25 °C |
IRRIBARRE kanonikoak O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
SMILES isomerikoak C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI gakoa
OEIRLWHCGAICDW-AOGFTHLWSA-N
Substantzia honen beste 2 izen
(2R,3R,3aS,9aR)-2-[[Bis(4-metoxifenil)fenilmetoxi]metil]-2,3,3a,9a-tetrahidro-3-hidroxi-6H-furo[2′,3′:4,5]oxazolo[3,2-a] pirimidin-6-ona (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-ona, 2-[[bis(4-metoxifenil)fenilmetoxi]metil]-2,3,3a,9a-
tetrahidro-3-hidroxi-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Eskuragarri dauden propietateak |
| Termikoa |
Termikoa
| Jabetza | Balioa | Baldintza | Iturria |
| Urtze-puntua | 129,5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Nukleosidoak, Nukleotidoak eta Azido Nukleikoak, (2016), 35(8), 410-425, CAplus
| Espektroak eskuragarri |
| 1H NMR |
| 13C NMR |
| IR |
| Meza |
Aurreikusitako propietateak
| Eskuragarri dauden propietateak |
| Biologikoa |
| Kimikoa |
| Dentsitatea |
| Lipinski |
| Egitura erlazionatua |
| Termikoa |
Biologikoa
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 1360 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 1360 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1360 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1350 | pH 10; Tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Kimikoa
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 6080 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Koc | 6080 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Koc | 6070 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Koc | 6060 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 1; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 2; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 4.42 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 4,424 ± 0,618 | Tenperatura: 25 °C | (1) ACD |
| Masaren berezko disolbagarritasuna | 5,8 x 10-4 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,8 x 10-4 g/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molar intrintsekoa | 1,1 x 10-6 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-6 mol/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 528,55 | ||
| pKa | 12,51±0,40 | Tenperatura azidoena: 25 °C | (1) ACD |
| pKa | -4,70±0,60 | Oinarrizko tenperatura: 25 °C | (1) ACD |
| Lurrun-presioa | 6,91 x 10-20 Torr | Tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Dentsitatea
| Jabetza | Balioa | Baldintza | Iturria |
| Dentsitatea | 1,35 ± 0,1 g/cm3 | Tenperatura: 20 °C; Presioa: 760 Torr | (1) ACD |
| Bolumen molarra | 389,8 ± 7,0 cm3/mol | Tenperatura: 20 °C; Presioa: 760 Torr | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Lipinski
| Jabetza | Balioa | Baldintza | Iturria |
| Libreki bira daitezkeen bonuak | 9 | (1) ACD | |
| Jabetza | Balioa | Baldintza | Iturria |
| H hartzailea | 9 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H Emaile/Hartzaile Batura | 10 | (1) ACD | |
| logP | 4,424 ± 0,618 | Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 528,55 |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Egitura erlazionatua
| Jabetza | Balioa | Baldintza | Iturria |
| Azalera polarra | 99.1 A2 | (1) ACD | |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Termikoa
| Jabetza | Balioa | Baldintza | Iturria |
| Irakite-puntua | 688,2 ± 65,0 °C | Prentsa: 760 Torr | (1) ACD |
| Lurruntze-entalpia | 105,96 ± 3,0 kJ/mol | Prentsa: 760 Torr | (1) ACD |
| Su-puntua | 370,0 ± 34,3 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Espektroak eskuragarri
1H NMR
13C NMR
![C44H49N5O7Si Adenosina, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C17H19N3O6 Timidina, α-oxo- α-[(fenilmetil)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C39H46FN4O8P Uridina, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -desoxi-2′ – fluoro-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforamidita] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C40H49N4O9P Uridina, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -O-metil-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforamidita] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C21H21N3O6 Timidina, α – [(1-naftalenilmetil)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)