ChemSpider 2D Image | MFCD18974714 | C15H18O5

MFCD18974714

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID24744504

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-methoxy- [ACD/Index Name]
8-[(2S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-[(2S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
8-[(2S)-2,3-Dihydroxy-3-méthylbutyl]-7-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
MFCD18974714
[5875-49-0] [RN]
5875-49-0 [RN]
8-[(2S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
CID 821434

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 500.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±3.0 kJ/mol
    Flash Point: 188.3±23.6 °C
    Index of Refraction: 1.580
    Molar Refractivity: 72.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.44
    ACD/KOC (pH 5.5): 117.03
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.44
    ACD/KOC (pH 7.4): 117.03
    Polar Surface Area: 76 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 218.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement