ChemSpider 2D Image | 2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-L-ribofuranosyl]-7-methyl-1,7,8,9-tetrahydro-6H-purin-6-one | C11H20N5O14P3

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-L-ribofuranosyl]-7-methyl-1,7,8,9-tetrahydro-6H-purin-6-one

  • Molecular FormulaC11H20N5O14P3
  • Average mass539.223 Da
  • Monoisotopic mass539.021973 Da
  • ChemSpider ID24653736

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-L-ribofuranosyl]-7-methyl-1,7,8,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-L-ribofuranosyl]-7-methyl-1,7,8,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-L-ribofuranosyl]-7-méthyl-1,7,8,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
7H-Purin-6-ol, 2-amino-8,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-L-ribofuranosyl]-7-methyl- [ACD/Index 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: 981.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.9±3.0 kJ/mol
Flash Point: 547.5±37.1 °C
Index of Refraction: 1.715
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -7.20
ACD/LogD (pH 5.5): -12.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 148.3±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

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