ChemSpider 2D Image | {2-[4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonic acid | C13H17ClN5O5P

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

  • Molecular FormulaC13H17ClN5O5P
  • Average mass389.731 Da
  • Monoisotopic mass389.065582 Da
  • ChemSpider ID24654435

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{2-[4-(6-Amino-2-chlor-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
{2-[4-(6-Amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
Acide {2-[4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[4-(6-amino-2-chloro-9H-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]ethyl]- [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: 708.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.5±35.7 °C
Index of Refraction: 1.966
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.48
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 134.1±7.0 dyne/cm
Molar Volume: 171.0±7.0 cm3

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