ChemSpider 2D Image | (3beta,16beta,17Z,23R)-23-Methylergosta-5,17-diene-3,16-diol | C29H48O2

(3β,16β,17Z,23R)-23-Methylergosta-5,17-diene-3,16-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID35516806

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,16β,17Z,23R)-23-Methylergosta-5,17-dien-3,16-diol [German] [ACD/IUPAC Name]
(3β,16β,17Z,23R)-23-Methylergosta-5,17-diene-3,16-diol [ACD/IUPAC Name]
(3β,16β,17Z,23R)-23-Méthylergosta-5,17-diène-3,16-diol [French] [ACD/IUPAC Name]
Ergosta-5,17-diene-3,16-diol, 23-methyl-, (3β,16β,17Z,23R)- [ACD/Index Name]
23R-Methyl-ergosta-5,17(20)-diene-3β,16β-diol
Klyflaccisteroid B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 219.7±24.7 °C
Index of Refraction: 1.541
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 578354.56
ACD/KOC (pH 5.5): 463606.59
ACD/LogD (pH 7.4): 7.88
ACD/BCF (pH 7.4): 578354.56
ACD/KOC (pH 7.4): 463606.59
Polar Surface Area: 40 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 414.6±5.0 cm3

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