ChemSpider 2D Image | (2S)-3-(2-Amino-6-chloro-9H-purin-9-yl)-1,2-propanediol | C8H10ClN5O2

(2S)-3-(2-Amino-6-chloro-9H-purin-9-yl)-1,2-propanediol

  • Molecular FormulaC8H10ClN5O2
  • Average mass243.650 Da
  • Monoisotopic mass243.052307 Da
  • ChemSpider ID57600342

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(2-Amino-6-chlor-9H-purin-9-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-(2-Amino-6-chloro-9H-purin-9-yl)-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-(2-Amino-6-chloro-9H-purin-9-yl)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-(2-amino-6-chloro-9H-purin-9-yl)-, (2S)- [ACD/Index Name]
(2S)-3-(2-amino-6-chloro-9H-purin-9-yl)propane-1,2-diol
885322-01-0 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 636.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 338.8±34.3 °C
Index of Refraction: 1.802
Molar Refractivity: 55.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.56
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.56
Polar Surface Area: 110 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 84.7±7.0 dyne/cm
Molar Volume: 130.0±7.0 cm3

Click to predict properties on the Chemicalize site


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