ChemSpider 2D Image | 3-(8-Amino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoic acid | C10H13N5O4

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

  • Molecular FormulaC10H13N5O4
  • Average mass267.241 Da
  • Monoisotopic mass267.096741 Da
  • ChemSpider ID28611787

More details:

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

3-(8-Amino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoic acid [ACD/IUPAC Name]
3-(8-Amino-1,3-dimethyl-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-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]
Acide 3-(8-amino-1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)propanoïque [French] [ACD/IUPAC Name]
114431-62-8 [RN]
3-(8-Amino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionic acid
3-(8-Amino-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoic acid
3-(8-amino-1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid
3-(8-imino-1,3-dimethyl-2,6-dioxo-2,3,8,9-tetrahydro-1H-purin-7(6H)-yl)propanoic acid
AKOS015831300
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 592.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±3.0 kJ/mol
    Flash Point: 312.2±32.9 °C
    Index of Refraction: 1.736
    Molar Refractivity: 63.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.40
    ACD/LogD (pH 5.5): -1.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 122 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 77.0±7.0 dyne/cm
    Molar Volume: 157.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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