ChemSpider 2D Image | 5-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-glycero-pentofuranosyl]-1H-imidazole-4-carboxamide | C9H17N4O14P3

5-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-1H-imidazole-4-carboxamide

  • Molecular FormulaC9H17N4O14P3
  • Average mass498.171 Da
  • Monoisotopic mass497.995422 Da
  • ChemSpider ID57425698

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1H-Imidazole-4-carboxamide, 5-amino-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
5-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycéro-pentofuranosyl]-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
10588-30-4 [RN]
82989-82-0 [RN]
AICAR Triphosphate
ZTP

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

Density: 2.6±0.1 g/cm3
Boiling Point: 990.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.2±3.0 kJ/mol
Flash Point: 552.6±37.1 °C
Index of Refraction: 1.846
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -5.59
ACD/LogD (pH 5.5): -12.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 326 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 197.7±7.0 dyne/cm
Molar Volume: 189.5±7.0 cm3

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