![C50H58N7O9P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI) Imago Praecipua](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)
Numerus Registri CAS
251647-53-7
H302
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 932.01 | - |
| pKa (Praedictum) | 7.87±0.43 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
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
Subrisus Isomerici
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 / h 8-13, 15-26, 32-35, 42, 44-45, 49 H, 14, 28-31 H 2, 1-7 H 3, (H, 52, 53, 55, 58) / t 42-, 44-, 45-, 49-, 67? / m¹/s¹
Clavis InChI
VPBYBQBHLYRLHG-HDMAWCRFSA-N
Sedecim Alia Nomina Huius Substantiae
AdenosinumN-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3'-[2-cyanoethyl bis(1-methylethyl)
phosphoramiditum] (9CI); 16: PN: US20030211606 PAGINA: 19 sequentia vindicata; 16: PN: US20030212017 PAGINA: 20 sequentia vindicata; 17: PN: US20040005569 PAGINA: 22 sequentia vindicata; 19: PN: US20040006030 PAGINA: 23 sequentia vindicata; 19: PN: US20040014047
PAGINA: 21 sequentia vindicata; 19: PN: US20040014049 PAGINA: 21 sequentia vindicata; 20: PN: US20040005570 PAGINA: 20 vindicata
sequentia; 20: PN: US20040014048 PAGINA: 21 sequentia vindicata; 20: PN: US20040014050 PAGINA: 20 sequentia vindicata; 21: PN: U
S20040005565 PAGINA: 17-22 sequentia vindicata; 21: PN: US20040014051 PAGINA: 23 sequentia vindicata; 22: PN: US20040014699 PAGINA: 20 sequentia vindicata; 23: PN: US20040006029 PAGINA: 23 sequentia vindicata; 23: PN: WO03106645 PAGINA: 73 sequentia vindicata; 94: PN: US20040005707 PAGINA: 20 sequentia vindicata
Spectra praesto sunt
1H NMR
13C NMR
Hetero NMR
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 2680 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 71500 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 7.21 × 105 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.00 × 106 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 8.48 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.39 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 40300 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Koc | 1360 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 36300 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 3.66 × 105 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 1.13 × 106 | pH 4; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 1.42 × 106 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 1.42 × 106 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1.17 × 106 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 4.30 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 70800 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 20500 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 5.77 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 7.20 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 8.20 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 8.69 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 8.79 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 8.79 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 8.71 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 8.27 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 7.49 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.95 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 8.803±0.766 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 5.4 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.051 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.9 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.9 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.0 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.8 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.8 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.8 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.6 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 9.3 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.6 × 10⁻³ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 5.7 × 10⁻⁵ g/L | Aqua non tamponata pH 6.97; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 5.8 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.5 × 10⁻⁵ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.0 × 10⁻⁶ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 2.0 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.4 × 10⁻⁸ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.1 × 10⁻⁸ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.1 × 10⁻⁸ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.2 × 10⁻⁸ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.7 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.0 × 10⁻⁶ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.9 × 10⁻⁶ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 6.1 × 10⁻⁸ mol/L | Aqua non tamponata pH 6.97; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 932.01 | ||
| pKa | 7.87±0.43 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.45±0.70 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 22 | (1) ACD | |
| Acceptores H | 16 | (1) ACD | |
| Donatores H | 1 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 17 | (1) ACD | |
| logP | 8.803±0.766 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 932.01 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 187 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
| Fons Enuntiationis Periculi Codicis | |
| H302 Nocivum si deglutitur. | Classificatio et Inscriptiones Agentiae Chemicae Europaeae (ECHA) Inventarium - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Agentia Chemica Europaea (ECHA) Inventarium Classificationis et Inscriptionis - Classificatio et Inscriptionis Notificatae - Notificationes Gravissimae |
![C40H49N4O9P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine-300x300.png)
![C41H49FN5O8P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C47H51FN7O7P Adenosinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![C50H60N5O10P Cytidinum, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine-300x300.png)
![C43H55N4O10P Uridinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine-300x300.png)
![C42H52N5O9P Cytidinum, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramiditum] (ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)