ChemSpider 2D Image | 8-[(E)-(6-Hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione | C15H18N8O5

8-[(E)-(6-Hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC15H18N8O5
  • Average mass390.354 Da
  • Monoisotopic mass390.140015 Da
  • ChemSpider ID78432396

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-(3-methylbutyl)-8-[(E)-2-(1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxo-5-pyrimidinyl)diazenyl]- [ACD/Index Name]
8-[(E)-(6-Hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(E)-(6-Hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(E)-(6-Hydroxy-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)diazényl]-3-méthyl-7-(3-méthylbutyl)-3,7-dihydro-1H-purine-2,6-dione [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: 1.789
Molar Refractivity: 94.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 78.8±7.0 dyne/cm
Molar Volume: 222.1±7.0 cm3

Click to predict properties on the Chemicalize site


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