ChemSpider 2D Image | 9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one | C18H22N6O13P2

9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one

  • Molecular FormulaC18H22N6O13P2
  • Average mass592.347 Da
  • Monoisotopic mass592.072021 Da
  • ChemSpider ID95638890

More details:

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

6H-Purin-6-one, 9-[5-O-[[[[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]-1,2,3,9-tetrahydro-2-imino- [ACD/Index Name]
9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2-imino-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-{5-O-[({[(4-Formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
9-{5-O-[({[(4-Formyl-5-hydroxy-6-méthyl-3-pyridinyl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2-imino-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.822
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.03
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 305 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 121.6±7.0 dyne/cm
Molar Volume: 275.6±7.0 cm3

Click to predict properties on the Chemicalize site


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