ChemSpider 2D Image | 3-(8-Amino-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoic acid | C9H11N5O4

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

  • Molecular FormulaC9H11N5O4
  • Average mass253.215 Da
  • Monoisotopic mass253.081100 Da
  • ChemSpider ID28611765

More details:

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

3-(8-Amino-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoic acid [ACD/IUPAC Name]
3-(8-Amino-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propansäure [German] [ACD/IUPAC Name]
7H-Purine-7-propanoic acid, 8-amino-1,2,3,6-tetrahydro-3-methyl-2,6-dioxo- [ACD/Index Name]
Acide 3-(8-amino-3-méthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)propanoïque [French] [ACD/IUPAC Name]
1370594-68-5 [RN]
3-(8-Amino-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionic acid
3-(8-Amino-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoic acid
3-(8-amino-3-methyl-2,6-dioxopurin-7-yl)propanoic acid
AKOS015831195
MCULE-1972445776
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.9±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.794
    Molar Refractivity: 58.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.11
    ACD/LogD (pH 5.5): -2.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 131 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 91.4±7.0 dyne/cm
    Molar Volume: 136.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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