ChemSpider 2D Image | 2-Amino-9-{2-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-3-C-[2-(methylamino)benzoyl]-alpha-D-erythro-pentofuranosyl}-3,9-dihydro-6H-purin-6-one | C18H22N6O11P2

2-Amino-9-{2-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-3-C-[2-(methylamino)benzoyl]-α-D-erythro-pentofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC18H22N6O11P2
  • Average mass560.348 Da
  • Monoisotopic mass560.082153 Da
  • ChemSpider ID115780

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-9-{2-deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-3-C-[2-(methylamino)benzoyl]-α-D-erythro-pentofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{2-desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-3-C-[2-(methylamino)benzoyl]-α-D-erythro-pentofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{2-désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-3-C-[2-(méthylamino)benzoyl]-α-D-érythro-pentofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-3-C-[2-(methylamino)benzoyl]-α-D-erythro-pentofuranosyl]-3,9-dihydro- [ACD/Index Name]
127383-33-9 [RN]
3'-(methylanthraniloyl)-2'-deoxy-guanosine diphosphate
Mant-gdp

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

Density: 2.0±0.1 g/cm3
Boiling Point: 994.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 555.1±37.1 °C
Index of Refraction: 1.799
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -6.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 113.6±7.0 dyne/cm
Molar Volume: 277.3±7.0 cm3

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