ChemSpider 2D Image | N-(+)-Biotinyl-4-aminobenzoic acid | C17H21N3O4S

N-(+)-Biotinyl-4-aminobenzoic acid

  • Molecular FormulaC17H21N3O4S
  • Average mass363.431 Da
  • Monoisotopic mass363.125275 Da
  • ChemSpider ID21589801

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

4-({5-[(4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-({5-[(4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoic acid [ACD/IUPAC Name]
6929-40-4 [RN]
Acide 4-({5-[(4S)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-[(4S)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]- [ACD/Index Name]
N-(+)-Biotinyl-4-aminobenzoic acid
4-[5-[(4S)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoic acid
B-PABA
MFCD00077915

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 750.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.8±3.0 kJ/mol
    Flash Point: 407.7±31.5 °C
    Index of Refraction: 1.621
    Molar Refractivity: 95.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 1.29
    ACD/KOC (pH 5.5): 18.10
    ACD/LogD (pH 7.4): -0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 133 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 271.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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