ChemSpider 2D Image | {2-[(3S,4R)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phosphonic acid | C11H15N6O6P

{2-[(3S,4R)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phosphonic acid

  • Molecular FormulaC11H15N6O6P
  • Average mass358.247 Da
  • Monoisotopic mass358.079071 Da
  • ChemSpider ID30819701

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{2-[(3S,4R)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phosphonic acid [ACD/IUPAC Name]
{2-[(3S,4R)-3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoethyl}phosphonsäure [German] [ACD/IUPAC Name]
{2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
Acide {2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoéthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[(3S,4R)-3-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-4-hydroxy-1-pyrrolidinyl]-2-oxoethyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.930
Molar Refractivity: 76.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -3.70
ACD/LogD (pH 5.5): -6.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 142.6±7.0 dyne/cm
Molar Volume: 160.8±7.0 cm3

Click to predict properties on the Chemicalize site


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