ChemSpider 2D Image | (2R)-2-Amino-2-(6-chloro-2-methyl-7H-purin-8-yl)ethanesulfonic acid | C8H10ClN5O3S

(2R)-2-Amino-2-(6-chloro-2-methyl-7H-purin-8-yl)ethanesulfonic acid

  • Molecular FormulaC8H10ClN5O3S
  • Average mass291.715 Da
  • Monoisotopic mass291.019287 Da
  • ChemSpider ID91869580

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-2-(6-chlor-2-methyl-7H-purin-8-yl)ethansulfonsäure [German] [ACD/IUPAC Name]
(2R)-2-Amino-2-(6-chloro-2-methyl-7H-purin-8-yl)ethanesulfonic acid [ACD/IUPAC Name]
7H-Purine-8-ethanesulfonic acid, β-amino-6-chloro-2-methyl-, (βR)- [ACD/Index Name]
Acide (2R)-2-amino-2-(6-chloro-2-méthyl-7H-purin-8-yl)éthanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 105.7±3.0 dyne/cm
Molar Volume: 165.6±3.0 cm3

Click to predict properties on the Chemicalize site


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