ChemSpider 2D Image | 3-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine | C12H18N3O12P3

3-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine

  • Molecular FormulaC12H18N3O12P3
  • Average mass489.206 Da
  • Monoisotopic mass489.010345 Da
  • ChemSpider ID35034265

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-{2-Deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine [ACD/IUPAC Name]
3-{2-Desoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridin [German] [ACD/IUPAC Name]
3-{2-Désoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-érythro-pentofuranosyl}-7-méthyl-3H-imidazo[4,5-b]pyridine [French] [ACD/IUPAC Name]
3H-Imidazo[4,5-b]pyridine, 3-[2-deoxy-5-O-[(R)-hydroxy[[(R)-hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-7-methyl- [ACD/Index Name]
QTP

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

Density: 2.2±0.1 g/cm3
Boiling Point: 836.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.5±37.1 °C
Index of Refraction: 1.765
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -9.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 129.0±7.0 dyne/cm
Molar Volume: 225.0±7.0 cm3

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