ChemSpider 2D Image | {[(1S,2R,3S,4R,5S)-4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl}phosphonic acid | C12H15ClN5O5P

{[(1S,2R,3S,4R,5S)-4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl}phosphonic acid

  • Molecular FormulaC12H15ClN5O5P
  • Average mass375.705 Da
  • Monoisotopic mass375.049927 Da
  • ChemSpider ID74180702

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{[(1S,2R,3S,4R,5S)-4-(6-Amino-2-chlor-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl}phosphonsäure [German] [ACD/IUPAC Name]
{[(1S,2R,3S,4R,5S)-4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl}phosphonic acid [ACD/IUPAC Name]
Acide {[(1S,2R,3S,4R,5S)-4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(1S,2R,3S,4R,5S)-4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl]- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 712.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.8±35.7 °C
Index of Refraction: 2.028
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 151.2±7.0 dyne/cm
Molar Volume: 155.0±7.0 cm3

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