ChemSpider 2D Image | [4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | C12H15ClN5O6P

[4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate

  • Molecular FormulaC12H15ClN5O6P
  • Average mass391.704 Da
  • Monoisotopic mass391.044861 Da
  • ChemSpider ID24652027
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

[4-(6-Amino-2-chlor-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-2,3-diol, 4-(6-amino-2-chloro-9H-purin-9-yl)-1-[(phosphonooxy)methyl]- [ACD/Index Name]
Dihydrogénophosphate de [4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]méthyle [French] [ACD/IUPAC Name]
10.1021/jm010538v

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 704.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 379.9±35.7 °C
Index of Refraction: 1.993
Molar Refractivity: 80.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 147.4±7.0 dyne/cm
Molar Volume: 161.4±7.0 cm3

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