ChemSpider 2D Image | (1S,4S,7S,9beta,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diol | C31H52O3

(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diol

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID24649071

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1,23-diol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diol [ACD/IUPAC Name]
(1S,4S,7S,9β,23R)-7-Méthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-diène-1,23-diol [French] [ACD/IUPAC Name]
Estr-5-en-3-ol, 17-[(1R,3R)-3-hydroxy-1,5-dimethyl-4-hexen-1-yl]-7-methoxy-4,4,9,14-tetramethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 555.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 289.7±27.3 °C
Index of Refraction: 1.537
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 319101.72
ACD/KOC (pH 5.5): 302890.78
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 319101.72
ACD/KOC (pH 7.4): 302890.78
Polar Surface Area: 50 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 453.2±5.0 cm3

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