ChemSpider 2D Image | 1-Methyl-L-4,5-dihydrooroticacid | C6H8N2O4

1-Methyl-L-4,5-dihydrooroticacid

  • Molecular FormulaC6H8N2O4
  • Average mass172.139 Da
  • Monoisotopic mass172.048401 Da
  • ChemSpider ID23346988

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
(4S)-1-Methyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid
(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid
(S)-1-Methyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid
103365-69-1 [RN]
1-Methyl-L-4,5-dihydroorotic acid
1-Methyl-L-4,5-dihydrooroticacid
4-Pyrimidinecarboxylic acid, hexahydro-1-methyl-2,6-dioxo-, (4S)- [ACD/Index Name]
Acide (4S)-1-méthyl-2,6-dioxohexahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.526
    Molar Refractivity: 36.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -2.55
    ACD/LogD (pH 5.5): -4.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 118.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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