Found 1 result

Search term: LFFHZNXDGBQZCO-GXKBHXPCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (24S)-7alpha,24-dihydroxycholest-4-en-3-one | C27H44O3

(24S)-7α,24-dihydroxycholest-4-en-3-one

  • Molecular FormulaC27H44O3
  • Average mass416.637 Da
  • Monoisotopic mass416.329041 Da
  • ChemSpider ID27471314

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(24S)-7α,24-dihydroxycholest-4-en-3-one
(7α,24S)-7,24-Dihydroxycholest-4-en-3-on [German] [ACD/IUPAC Name]
(7α,24S)-7,24-Dihydroxycholest-4-en-3-one [ACD/IUPAC Name]
(7α,24S)-7,24-Dihydroxycholest-4-én-3-one [French] [ACD/IUPAC Name]
Cholest-4-en-3-one, 7,24-dihydroxy-, (7α,24S)- [ACD/Index Name]
4-cholesten-7α,24(S)-diol-3-one
4-cholesten-7α,24S-diol-3-one
7α,24S-dihydroxy-4-cholesten-3-one
7α,24S-dihydroxycholest-4-en-3-one

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

CHEBI:63838 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 300.6±21.9 °C
Index of Refraction: 1.542
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2232.50
ACD/KOC (pH 5.5): 8682.82
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2232.50
ACD/KOC (pH 7.4): 8682.82
Polar Surface Area: 58 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 386.2±5.0 cm3

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