ChemSpider 2D Image | MFCD15144883 | C1213C3H14O6

MFCD15144883

  • Molecular FormulaC1213C3H14O6
  • Average mass293.246 Da
  • Monoisotopic mass293.089111 Da
  • ChemSpider ID49072006
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(±)-Catechin-2,3,4-13C3
(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-(2,3,4-13C3)chromanetriol [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Dihydroxyphényl)-3,5,7-(2,3,4-13C3)chromanetriol [French] [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-(2,3,4-13C3)chromantriol [German] [ACD/IUPAC Name]
1261254-33-4 [RN]
2H-1-Benzopyran-3,5,7-triol-2,3,4-13C3, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R)- [ACD/Index Name]
MFCD15144883
(+)-catechin-13c3
(2S,3R)-2-(3,4-Dihydroxyphenyl)(2,3,4-13C3)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CID 71310843

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.742
    Molar Refractivity: 73.6±0.3 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 88.1±3.0 dyne/cm
    Molar Volume: 182.2±3.0 cm3

    Click to predict properties on the Chemicalize site






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