ChemSpider 2D Image | (6S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid | C8H8N2O3

(6S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

  • Molecular FormulaC8H8N2O3
  • Average mass180.161 Da
  • Monoisotopic mass180.053497 Da
  • ChemSpider ID32680081

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
(6S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
Acide (6S)-4-oxo-4,6,7,8-tétrahydropyrrolo[1,2-a]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, 4,6,7,8-tetrahydro-4-oxo-, (6S)- [ACD/Index Name]
(6S)-4,6,7,8-TETRAHYDRO-4-OXO-PYRROLO[1,2-A]PYRIMIDINE-6-CARBOXYLIC ACID
(6S)-4-oxo-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
(6S)-4-oxo-6H,7H,8H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
(S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic Acid
1190392-22-3 [RN]
MFCD20133989

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 392.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±6.0 kJ/mol
    Flash Point: 191.0±28.4 °C
    Index of Refraction: 1.715
    Molar Refractivity: 43.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.57
    ACD/LogD (pH 5.5): -2.84
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 70 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 71.4±7.0 dyne/cm
    Molar Volume: 111.7±7.0 cm3

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