![C45H56N7O9P Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI) Imago Praecipua.](https://www.csnvchem.com/uploads/C45H56N7O9P.png)
C45H56N7O9P Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl) phosphoramiditum] (ACI)
Numerus Registri CAS
150780-67-9
H303
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 869.94 | - |
| pKa (Praedictum) | 9.16±0.20 | Temperatura Acida Maxima: 25°C |
N#CCCOP(OC¹C(OC(N²C= NC=3C(=O)N=C(NC(=O)C(C)C)NC³²)C¹OC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C
Subrisus Isomerici
C(OC[C@@H]¹[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@H](O¹)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC) C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62(59-25-13-24-
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27-30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
Clavis InChI
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Aliud Nomen pro hac Substantia
Guanosinum, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl bis(1-methylethyl) phosphoramiditum] (9CI)
Spectra praesto sunt
13C NMR
Hetero NMR
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | CLXXXIII | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 3890 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 35500 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.08 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.36 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.39 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.38 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.24 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 63600 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 11900 | 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 | 220 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 4680 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 42600 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 1.30 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 1.63 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 1.67 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 1.65 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 1.49 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 76400 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 14200 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | 4.19 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | 5.52 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | 6.48 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 6.96 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 7.06 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 7.07 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 7.07 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 7.02 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 6.73 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | sex.00 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 7.072±0.721 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 1.2 × 10⁻⁴ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.096 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.3 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.8 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.6 × 10⁻⁴ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 × 10⁻⁴ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 × 10⁻⁴ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 × 10⁻⁴ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 × 10⁻⁴ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 2.7 × 10⁻⁴ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.4 × 10⁻³ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 × 10⁻⁴ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 1.4 × 10⁻⁷ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.1 × 10⁻⁴ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.0 × 10⁻⁶ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 5.5 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.8 × 10⁻⁷ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.6 × 10⁻⁷ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.1 × 10⁻⁷ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.6 × 10⁻⁶ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 869.94 | ||
| pKa | 9.16±0.20 | 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 | 19 | (1) ACD | |
| Acceptores H | 16 | (1) ACD | |
| Donatores H | 2 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 18 | (1) ACD | |
| logP | 7.072±0.721 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 869.94 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 194 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
| Codex | Declaratio Periculi | Fons |
| H303 | Nocivum esse potest si deglutitur | Periti Curati |
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