ChemSpider 2D Image | 3-(3-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid | C9H10N4O4

3-(3-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

  • Molecular FormulaC9H10N4O4
  • Average mass238.200 Da
  • Monoisotopic mass238.070206 Da
  • ChemSpider ID23368832

More details:

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

1H-Purine-8-propanoic acid, 2,3,6,7-tetrahydro-3-methyl-2,6-dioxo- [ACD/Index Name]
3-(3-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid [ACD/IUPAC Name]
3-(3-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(3-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)propanoïque [French] [ACD/IUPAC Name]
3-(2-hydroxy-3-methyl-6-oxo-6,7-dihydro-3H-purin-8-yl)propanoic acid
3-(2-Hydroxy-3-methyl-6-oxo-6,7-dihydro-3H-purin-8-yl)-propionic acid
3-(3-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionic acid
3-(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)propanoic acid
3-(3-Methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)-propionic acid
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.629
    Molar Refractivity: 54.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -2.09
    ACD/LogD (pH 5.5): -2.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 115 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 80.6±3.0 dyne/cm
    Molar Volume: 151.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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