ChemSpider 2D Image | (3beta,9beta,10alpha,17alpha,23E)-9,19-Cyclolanost-23-ene-3,25-diol | C30H50O2

(3β,9β,10α,17α,23E)-9,19-Cyclolanost-23-ene-3,25-diol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID113609065

  • 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,9β,10α,17α,23E)-9,19-Cyclolanost-23-en-3,25-diol [German] [ACD/IUPAC Name]
(3β,9β,10α,17α,23E)-9,19-Cyclolanost-23-ene-3,25-diol [ACD/IUPAC Name]
(3β,9β,10α,17α,23E)-9,19-Cyclolanost-23-ène-3,25-diol [French] [ACD/IUPAC Name]
9,19-Cyclolanost-23-ene-3,25-diol, (3β,9β,10α,17α,23E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 218.1±17.2 °C
Index of Refraction: 1.551
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 479775.84
ACD/KOC (pH 5.5): 405564.00
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 479775.84
ACD/KOC (pH 7.4): 405564.00
Polar Surface Area: 40 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 418.9±5.0 cm3

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