ChemSpider 2D Image | (6-Hydroxy-9H-purin-8-yl)methanesulfonic acid | C6H6N4O4S

(6-Hydroxy-9H-purin-8-yl)methanesulfonic acid

  • Molecular FormulaC6H6N4O4S
  • Average mass230.201 Da
  • Monoisotopic mass230.010971 Da
  • ChemSpider ID86074010

More details:

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

(6-Hydroxy-9H-purin-8-yl)methanesulfonic acid [ACD/IUPAC Name]
(6-Hydroxy-9H-purin-8-yl)methansulfonsäure [German] [ACD/IUPAC Name]
9H-Purine-8-methanesulfonic acid, 6-hydroxy- [ACD/Index Name]
Acide (6-hydroxy-9H-purin-8-yl)méthanesulfonique [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.779
Molar Refractivity: 48.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -6.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 154.6±3.0 dyne/cm
Molar Volume: 114.8±3.0 cm3

Click to predict properties on the Chemicalize site


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