ChemSpider 2D Image | (5s)-5-(Dioxidanyl)-9-Methyl-7h-Purine-2,6,8-Trione | C6H6N4O5

(5s)-5-(Dioxidanyl)-9-Methyl-7h-Purine-2,6,8-Trione

  • Molecular FormulaC6H6N4O5
  • Average mass214.136 Da
  • Monoisotopic mass214.033813 Da
  • ChemSpider ID35034634

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5s)-5-(Dioxidanyl)-9-Methyl-7h-Purine-2,6,8-Trione
(5S)-5-Hydroperoxy-9-methyl-5,7-dihydro-1H-purin-2,6,8(9H)-trion [German] [ACD/IUPAC Name]
(5S)-5-Hydroperoxy-9-methyl-5,7-dihydro-1H-purine-2,6,8(9H)-trione [ACD/IUPAC Name]
(5S)-5-Hydroperoxy-9-méthyl-5,7-dihydro-1H-purine-2,6,8(9H)-trione [French] [ACD/IUPAC Name]
1H-Purine-2,6,8(9H)-trione, 5,7-dihydro-5-hydroperoxy-9-methyl-, (5S)- [ACD/Index Name]
XDS

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.847
Molar Refractivity: 43.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 115.8±7.0 dyne/cm
Molar Volume: 97.3±7.0 cm3

Click to predict properties on the Chemicalize site


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