![C48H54N7O8P Adenosina, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O-metil-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosina, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O-metil-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI) Irudi nabarmena](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P Adenosina, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O-metil-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI)
CAS Erregistro Zenbakia
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Ezaugarri fisiko nagusiak | Balioa | Baldintza |
| Pisu molekularra | 887,96 | - |
| pKa (Aurreikusita) | 7,87 ± 0,43 | Tenperatura azidoena: 25 °C |
IRRIBARRE KANONIKOAK
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7 )N)(C(C)C)
IRRIBARRE ISOMERIKOAK
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=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/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(51-45)(51-45) 6)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
InChI gakoa
AZCGOTUYEPXHMJ-PSVHYZMASA-N
Substantzia honen beste 2 izen
Adenosina,N-bentzoil-5′-O- [bis(4-metoxifenil)fenilmetil]-2′ -O-metil-, 3′ - [2-zianoetil bis(1-metiletil)fosforamidita] (9CI); 5′ -O-(4,4′-dimetoxitritil)-N6-bentzoil-2′-O-metiladenosina 3′ - (2-zianoetilN,N-diisopropilfosforamidita)
Espektroak eskuragarri
13C NMR
Hetero EMN
Meza
Eskuragarri dauden propietateak
Biologikoa
Kimikoa
Lipinski
Egitura erlazionatua
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 4050 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,08 × 105 | 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 | 2,10 × 105 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 60800 | pH 10; Tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 1830 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Koc | 48700 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Koc | 4,91 × 105 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,52 × 106 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,90 x 106 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,91 x 106 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,57 × 106 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 5,78 × 105 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Koc | 95000 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Koc | 27500 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logD | 6.01 | pH 1; Tenperatura: 25 °C | (1) ACD |
| logD | 7.43 | pH 2; Tenperatura: 25 °C | (1) ACD |
| logD | 8.44 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 8,93 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 9.02 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 9.02 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 8,94 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 8.51 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 7,72 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 7.18 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 9,038 ± 0,723 | Tenperatura: 25 °C | (1) ACD |
| Masaren berezko disolbagarritasuna | 1,4 x 10-5 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 0,014 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,3 x 10-4 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,3 x 10-5 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,7 x 10-5 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,3 x 10-5 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,3 x 10-5 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,7 x 10-5 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,5 x 10-5 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 2,8 x 10-4 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 9,8 x 10-4 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,7 x 10-5 g/L | Tamperatu gabeko ura pH 6.99; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molar intrintsekoa | 1,6 x 10-8 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-5 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 6,0 x 10-7 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 6,0 x 10-8 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,9 x 10-8 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,5 x 10-8 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Disolbagarritasun molarra | 1,5 x 10-8 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,9 x 10-8 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,1 x 10-8 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,1 x 10-7 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 | 1,9 x 10-8 mol/L | Tamperatu gabeko ura pH 6.99; Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 887,96 | ||
| pKa | 7,87 ± 0,43 | Tenperatura azidoena: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | Oinarrizko tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintza | Iturria |
| Libreki bira daitezkeen bonuak | 19 | (1) ACD | |
| H hartzailea | 15 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H Emaile/Hartzaile Batura | 16 | (1) ACD | |
| logP | 9,038 ± 0,723 | Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 887,96 |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintzaren iturria |
| Azalera polarra | 178 A2 | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Espektroak eskuragarri
1H NMR
13C NMR
| Kodea | Arrisku Adierazpena | Iturria |
| H335 | Arnasketa-narritadura eragin dezake | Adituen aukeraketa |
| Kodea | Arrisku Adierazpena | Iturria |
| H331 | Arnastuz gero toxikoa | Adituen aukeraketa |
| H319 | Begietako narritadura larria eragiten du | Adituen aukeraketa |
| H315 | Larruazaleko narritadura eragiten du | Adituen aukeraketa |
| H311 | Toxikoa larruazalarekin kontaktuan | Adituen aukeraketa |
| H301+H311+H331 | Toxikoa irentsiz gero, azalarekin kontaktuan jarriz gero edo arnastuz gero | Adituen aukeraketa |
| H301 | Toxikoa irentsiz gero | Adituen aukeraketa |
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