ChemSpider 2D Image | MFCD20264898 | C28H44O2

MFCD20264898

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID28536342

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraen-3,25-diol [German] [ACD/IUPAC Name]
(3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol [ACD/IUPAC Name]
(3R,5Z,7E,22E)-9,10-Sécoergosta-5,7,10,22-tétraène-3,25-diol [French] [ACD/IUPAC Name]
200-578-6 [EINECS]
25-Hydroxyvitamin D2
3-epi-25-Hydroxyvitamin D2
908126-48-7 [RN]
Cyclohexanol, 4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3Z)- [ACD/Index Name]
MFCD20264898
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 542.3±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 94.3±6.0 kJ/mol
    Flash Point: 225.9±21.4 °C
    Index of Refraction: 1.543
    Molar Refractivity: 127.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 7.56
    ACD/LogD (pH 5.5): 6.73
    ACD/BCF (pH 5.5): 76584.77
    ACD/KOC (pH 5.5): 109056.02
    ACD/LogD (pH 7.4): 6.73
    ACD/BCF (pH 7.4): 76584.77
    ACD/KOC (pH 7.4): 109056.02
    Polar Surface Area: 40 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 40.7±5.0 dyne/cm
    Molar Volume: 404.1±5.0 cm3

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