![C44H53FN7O8 Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramiditum] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramiditum] (ACI) Imago Praecipua.](https://www.csnvchem.com/uploads/C44H53FN7O8.png)
C44H53FN7O8 Guanosinum, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramiditum] (ACI)
Numerus Registri CAS
144089-97-4
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 857.91 | - |
| pKa (Praedictum) | 9.16±0.20 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C(=O)N=C(NC(=O)C(C)C)NC65)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](F)[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/C44H53FN7O8P/c1-27(2)40(53)49-43-448-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-24-12-23-46)52(28(3)4)29(5) 6) 35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12; 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
Clavis InChI
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Aliud Nomen pro hac Substantia
Guanosinum, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluoro-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramiditum] (9CI)
Proprietates praesto
Biologicus
Chemica
Lipinski
Structurae Relata
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 298 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 6350 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 57800 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.76 × 105 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.21 × 105 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.26 × 105 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.24 × 105 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 2.03 × 105 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.04 × 105 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 19300 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Fons Conditionis Valoris Proprietatis |
| Koc 312 pH 1; Temperatura: 25°C (1) ACD |
| Koc 6630 pH 2; Temperatura: 25°C (1) ACD |
| Koc 60400 pH 3; Temperatura: 25°C (1) ACD |
| Koc 1.84 × 10⁵ pH 4; Temperatura: 25°C (1) ACD |
| Koc 2.31 x 10⁵ pH 5; Temperatura: 25°C (1) ACD |
| Koc 2.37 × 10⁵ pH 6; Temperatura: 25°C (1) ACD |
| Koc 2.35 × 10⁵ pH 7; Temperatura: 25°C (1) ACD |
| Koc 2.12 x 105 pH 8; Temperatura: 25°C (1) ACD |
| Koc 1.08 × 10⁵ pH 9; Temperatura: 25°C (1) ACD |
| Koc 20200 pH 10; Temperatura: 25°C (1) ACD |
| logD 4.47 pH 1; Temperatura: 25°C (1) ACD |
| logD 5.80 pH 2; Temperatura: 25°C (1) ACD |
| Possessio | Valor | Conditio | Fons |
| logD | 6.76 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 7.24 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 7.34 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 7.35 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 7.35 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 7.30 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 7.01 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 6.28 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 7.351±0.713 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 3.0 × 10⁻⁵ g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 0.022 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.0 × 10⁻³ g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 1.2 × 10⁻⁴ g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.9 × 10⁻⁵ g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.1 × 10⁻⁵ g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.0 × 10⁻⁵ g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.0 × 10⁻⁵ g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.3 × 10⁻⁵ g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 6.5 × 10⁻⁵ g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.5 × 10⁻⁴ g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.0 × 10⁻⁵ g/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 3.5 × 10⁻⁸ mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 2.6 × 10⁻⁵ mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.2 × 10⁻⁶ mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.4 × 10⁻⁷ mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.5 × 10⁻⁸ mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.6 × 10⁻⁸ mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.5 × 10⁻⁸ mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.5 × 10⁻⁸ mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.9 × 10⁻⁸ mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 7.6 × 10⁻⁸ mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 4.1 × 10⁻⁷ mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 3.5 × 10⁻⁸ mol/L | Aqua non tamponata pH 7.00; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 857.91 | ||
| 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 | Fons Conditionis |
| Area Superficialis Polaris | 184 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 18 | (1) ACD | |
| Acceptores H | 15 | (1) ACD | |
| Donatores H | 2 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 17 | (1) ACD | |
| logP | 7.351±0.713 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 857.91 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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