![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI) Sary nasongadina](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI)
CAS rejistra laharana
251647-53-7
H302
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 932.01 | - |
| pKa (voavinavina) | 7.87±0.43 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C (OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C
SMILES Isomerika
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[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/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9- 13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43 -46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1 /s1
InChI Key
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Anarana hafa ho an'ity akora ity
Adenosine,N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
phosphoramidite] (9CI); 16: PN: US20030211606 PEJY: laharana 19 voalaza; 16: PN: US20030212017 PEJY: 20 voalaza filaharana; 17: PN: US20040005569 PEJY: 22 voalaza filaharana; 19: PN: US20040006030 PEJY: 23 voalaza filaharana; 19: PN: US20040014047
PEJY: 21 milaza filaharana; 19: PN: US20040014049 PEJY: 21 voalaza filaharana; 20: PN: US20040005570 PEJY: 20 voalaza
sequence; 20: PN: US20040014048 PEJY: laharana 21 voalaza; 20: PN: US20040014050 PEJY: 20 voalaza filaharana; 21: PN: NY
S20040005565 PEJY: 17- 22 filaharana voalaza; 21: PN: US20040014051 PEJY: 23 voalaza ny filaharana; 22: PN: US20040014699 PEJY: 20 voalaza filaharana; 23: PN: US20040006029 PEJY: 23 voalaza filaharana; 23: PN: WO03106645 PEJY: 73 voalaza filaharana; 94: P N: US20040005707 PEJY: 20 voalaza filaharana
Spectra misy
1 H NMR
13 C NMR
Hetero NMR
Properties misy
niteraka
simika
Lipinski
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 2680 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 71500 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 7.21 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 8.48 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.39 x 105 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 40300 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 1360 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 1.42 x 106 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 8,803±0,766 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 5,4 x 10-5 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,051 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,9 x 10-3 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,9 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 6,0 x 10-5 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,8 x 10-5 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,8 x 10-5 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,8 x 10-5 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,6 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 9,3 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 3,6 x 10-3 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 5,7 x 10-5 g/L | Rano tsy voaaro pH 6.97; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 5,8 x 10-8 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 5,5 x 10-5 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,0 x 10-6 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 2,0 x 10-7 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,4 x 10-8 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 5,1 x 10-8 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 5,1 x 10-8 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,2 x 10-8 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,0 x 10-6 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,9 x 10-6 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 6,1 x 10-8 mol/L | Rano tsy voaaro pH 6.97; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 932.01 | ||
| pKa | 7.87±0.43 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 22 | (1) ACD | |
| H Acceptors | 16 | (1) ACD | |
| H Mpanome | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 17 | (1) ACD | |
| logP | 8,803±0,766 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 932.01 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
| Faritra ambonin'ny polar | 187 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1 H NMR
13 C NMR
| Loharanon'ny fanambarana loza mitatao | |
| H302 Manimba raha atelina | Fanasokajiana & fametahana marika Eoropeana Chemical Agency (ECHA). Inventory - Fanasokajiana sy fametahana fampandrenesana - fampandrenesana mahazatra indrindra, European Chemical Agency (ECHA) Fanasokajiana & fametahana marika - Fanasokajiana sy fametahana marika - fampandrenesana lehibe indrindra |
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