ChemSpider 2D Image | 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-6-methoxy-9H-purin-2-amine | C11H18N5O13P3

9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-6-methoxy-9H-purin-2-amine

  • Molecular FormulaC11H18N5O13P3
  • Average mass521.208 Da
  • Monoisotopic mass521.011414 Da
  • ChemSpider ID103166

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

63642-16-0 [RN]
9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-6-methoxy-9H-purin-2-amine [ACD/IUPAC Name]
9-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-6-methoxy-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-6-méthoxy-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-6-methoxy- [ACD/Index Name]
2'-Deoxy-6-O-methoxyguanosine 5'-(tetrahydrogen triphosphate)
9H-Purin-2-amine, 9-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-erythro-pentofuranosyl)-6-methoxy-
Guanosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-6-O-methoxy-
O(6)-Methyldeoxyguanosine triphosphate
O6-Methyldeoxyguanosine triphosphate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 3387 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 948.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 527.6±37.1 °C
Index of Refraction: 1.825
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.48
ACD/LogD (pH 5.5): -10.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 155.7±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

Click to predict properties on the Chemicalize site


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