ChemSpider 2D Image | (2alpha,3alpha,5alpha,20S,22S)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one | C27H44O7

(2α,3α,5α,20S,22S)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O7
  • Average mass480.634 Da
  • Monoisotopic mass480.308716 Da
  • ChemSpider ID34998787

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,3α,5α,20S,22S)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,20S,22S)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2α,3α,5α,20S,22S)-2,3,14,20,22,25-Hexahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2α,3α,5α,20S,22S)- [ACD/Index Name]
(2a,3a,5a,22R)-2,3,14,20,22,25-Hexahydroxycholest-
[698975-64-3] [RN]
698975-64-3 [RN]
MFCD13195579
Rhapontisterone B

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 702.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.0 mmHg at 25°C
    Enthalpy of Vaporization: 117.5±6.0 kJ/mol
    Flash Point: 392.4±29.4 °C
    Index of Refraction: 1.597
    Molar Refractivity: 127.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -0.53
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.76
    ACD/KOC (pH 5.5): 52.26
    ACD/LogD (pH 7.4): 0.63
    ACD/BCF (pH 7.4): 1.76
    ACD/KOC (pH 7.4): 52.26
    Polar Surface Area: 138 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 375.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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