ChemSpider 2D Image | 5-Amino-3-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-3,4-dihydro-7H-imidazo[4,5-b]pyridin-7-one | C11H17N4O13P3

5-Amino-3-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3,4-dihydro-7H-imidazo[4,5-b]pyridin-7-one

  • Molecular FormulaC11H17N4O13P3
  • Average mass506.193 Da
  • Monoisotopic mass506.000488 Da
  • ChemSpider ID9481690

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Amino-3-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3,4-dihydro-7H-imidazo[4,5-b]pyridin-7-one [ACD/IUPAC Name]
5-Amino-3-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3,4-dihydro-7H-imidazo[4,5-b]pyridin-7-on [German] [ACD/IUPAC Name]
5-Amino-3-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-3,4-dihydro-7H-imidazo[4,5-b]pyridin-7-one [French] [ACD/IUPAC Name]
7H-Imidazo[4,5-b]pyridin-7-one, 5-amino-3-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-3,4-dihydro- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 924.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.9±3.0 kJ/mol
Flash Point: 513.2±37.1 °C
Index of Refraction: 1.854
Molar Refractivity: 91.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.11
ACD/LogD (pH 5.5): -11.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 173.9±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

Click to predict properties on the Chemicalize site


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