ChemSpider 2D Image | 2-Amino-9-{5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-1,9-dihydro-6H-purin-6-one | C12H16N5O9P

2-Amino-9-{5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC12H16N5O9P
  • Average mass405.257 Da
  • Monoisotopic mass405.068573 Da
  • ChemSpider ID24653538

  • 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-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(carboxyméthyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-amino-9-[5-O-[(carboxymethyl)hydroxyphosphinyl]-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 930.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 516.5±37.1 °C
Index of Refraction: 1.882
Molar Refractivity: 80.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.78
ACD/LogD (pH 5.5): -6.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 137.9±7.0 dyne/cm
Molar Volume: 176.3±7.0 cm3

Click to predict properties on the Chemicalize site


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