![C44H49N5O7Si Adenosina, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7Si Adenosina, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI) Irudi nabarmena](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7Si Adenosina, N-benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)
| Propietate fisiko nagusiak | Balioa | Baldintza |
| Pisu Molekularra | 787,98 | - |
| Dentsitatea (aurreikusita) | 1,23±0,1 g/cm3 | Tenperatura: 20 °C; Prentsa: 760 Torr |
| pKa (aurreikusita) | 7,87±0,43 | Tenperatura azidoena: 25 °C |
IRRIBARRE Kanonikoak
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C (O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
IRISE Isomerikoa
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C= 3C(N=C2)=C(N C(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(3) 8)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20 -24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChI giltza
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Substantzia honen beste izen batzuk
N-Benzoil-5′-O-[bis(4-metoxifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]adenosina (ACI); N6-Benzoil-5′-O-(4,4′-dimetoxitritil)-2′-O-(tert-butildimetilsilil)adenosina
Espektroak eskuragarri
1H RMN
EMN heteroa
| Eskuragarri dauden propietateak |
| Biologikoa |
| Kimikoa |
| Dentsitatea |
| Lipinski |
| Egiturari lotutakoa |
Biologikoa
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 1,00 x 106 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio-faktorea | 5,41 x 105 | pH 10; Tenperatura: 25 °C | (1) ACD |
(1) Kimika Garapen Aurreratua (ACD/Labs) V11.02 softwarea erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Kimikoa
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 2,01 x 106 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Koc | 6,87 x 106 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Koc | 9,08 x 106 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Koc | 9,38 x 106 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Koc | 9,39 x 106 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Koc | 9,19 x 106 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Koc | 7,53 x 106 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 2,73 x 106 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Koc | 4,48 x 105 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,31 x 105 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logD | 9.62 | pH 1; Tenperatura: 25 °C | (1) ACD |
| logD | 10.15 | pH 2; Tenperatura: 25 °C | (1) ACD |
| logD | 10.27 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 10.29 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 10.29 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 10.28 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 10.19 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 9.75 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 8.97 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 8.43 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 10,291±0,708 | Tenperatura: 25 °C | (1) ACD |
| Masa Berezko Disolbagarritasuna | 1,1 x 10-6 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 4,8 x 10-6 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,4 x 10-6 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,1 x 10-6 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,0 x 10-6 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,0 x 10-6 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,0 x 10-6 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,3 x 10-6 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 3,5 x 10-6 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 2,2 x 10-5 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 7,6 x 10-5 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa Disolbagarritasuna | 1,3 x 10-6 g/L | Buffer gabeko ura pH 7,00; Tenperatura: 25 °C | (1) ACD |
| Berezko disolbagarritasun molarra | 1,4 x 10-9 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 6,1 x 10-9 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,8 x 10-9 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,4 x 10-9 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-9 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-9 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Disolbagarritasun molarra | 1,3 x 10-9 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-9 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,5 x 10-9 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 2,8 x 10-8 mol/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 9,6 x 10-8 mol/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-9 mol/L | Buffer gabeko ura pH 7,00; Tenperatura: 25 °C | (1) ACD |
| Pisu Molekularra | 787,98 | ||
| pKa | 7,87±0,43 | Tenperatura azidoena: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | Oinarrizko tenperatura: 25 °C | (1) ACD |
(1) Kimika Garapen Aurreratua (ACD/Labs) V11.02 softwarea erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Dentsitatea
| Jabetza | Balioa | Baldintza | Iturria |
| Dentsitatea | 1,23±0,1 g/cm3 | Tenperatura: 20 °C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 639,5±7,0 cm3/mol | Tenperatura: 20 °C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika Garapen Aurreratua (ACD/Labs) V11.02 softwarea erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Lipinski
| Jabetza | Balioa | Baldintza | Iturria |
| Biratu askeko Loturak | 14 | (1) ACD | |
| H Onartzaileak | 12 | (1) ACD | |
| H Emaileak | 2 | (1) ACD | |
| H Emaile/Hartzaileen batura | 14 | (1) ACD | |
| logP | 10,291±0,708 | Tenperatura: 25 °C | (1) ACD |
| Pisu Molekularra | 787,98 |
(1) Kimika Garapen Aurreratua (ACD/Labs) V11.02 softwarea erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Egiturari lotutakoa
| Jabetza | Balioa | Baldintza | Iturria |
| Azalera Polarra | 139 A2 | (1) ACD | |
(1) Kimika Garapen Aurreratua (ACD/Labs) V11.02 softwarea erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Espektroak eskuragarri
1H RMN
13C RMN
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