ChemSpider 2D Image | 5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid | C13H9N3O4S

5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid

  • Molecular FormulaC13H9N3O4S
  • Average mass303.293 Da
  • Monoisotopic mass303.031372 Da
  • ChemSpider ID58178787

More details:

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

1860028-33-6 [RN]
5-(Phenylsulfonyl)-5H-pyrrolo[3,2-d]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
5-(Phenylsulfonyl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
5-Benzenesulfonyl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
5H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 5-(phenylsulfonyl)- [ACD/Index Name]
Acide 5-(phénylsulfonyl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
5-(benzenesulfonyl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
5-(benzenesulfonyl)pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
MFCD30146467
OC(=O)C1=CC2=NC=NC=C2N1S(=O)(=O)C1=CC=CC=C1

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 598.5±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.7±3.0 kJ/mol
    Flash Point: 315.7±30.9 °C
    Index of Refraction: 1.729
    Molar Refractivity: 76.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.83
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 111 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 72.1±7.0 dyne/cm
    Molar Volume: 191.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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