ChemSpider 2D Image | ({[(3S,4R)-4-(6-Hydroxy-9H-purin-9-yl)-3-pyrrolidinyl]oxy}methyl)phosphonic acid | C10H14N5O5P

({[(3S,4R)-4-(6-Hydroxy-9H-purin-9-yl)-3-pyrrolidinyl]oxy}methyl)phosphonic acid

  • Molecular FormulaC10H14N5O5P
  • Average mass315.222 Da
  • Monoisotopic mass315.073242 Da
  • ChemSpider ID61709229

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

({[(3S,4R)-4-(6-Hydroxy-9H-purin-9-yl)-3-pyrrolidinyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(3S,4R)-4-(6-Hydroxy-9H-purin-9-yl)-3-pyrrolidinyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
({[(3S,4R)-4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-3-pyrrolidinyl]oxy}methyl)phosphonic acid [ACD/IUPAC Name]
({[(3S,4R)-4-(6-Oxo-1,6-dihydro-9H-purin-9-yl)-3-pyrrolidinyl]oxy}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[(3S,4R)-4-(6-hydroxy-9H-purin-9-yl)-3-pyrrolidinyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Acide ({[(3S,4R)-4-(6-oxo-1,6-dihydro-9H-purin-9-yl)-3-pyrrolidinyl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[(3S,4R)-4-(1,6-dihydro-6-oxo-9H-purin-9-yl)-3-pyrrolidinyl]oxy]methyl]- [ACD/Index Name]
Phosphonic acid, [[[(3S,4R)-4-(6-hydroxy-9H-purin-9-yl)-3-pyrrolidinyl]oxy]methyl]- [ACD/Index Name]
[(3{s},4{r})-4-(6-Oxidanylidene-1~{h}-Purin-9-Yl)pyrrolidin-3-Yl]oxymethylphosphonic Acid
6W7

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

Density: 2.0±0.1 g/cm3
Boiling Point: 682.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.5±34.3 °C
Index of Refraction: 1.852
Molar Refractivity: 68.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 114.7±7.0 dyne/cm
Molar Volume: 153.8±7.0 cm3

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