ChemSpider 2D Image | (3beta,5alpha,6beta,11alpha,16alpha,17Z,23R)-23-Methylergost-17-ene-3,5,6,11,16-pentol | C29H50O5

(3β,5α,6β,11α,16α,17Z,23R)-23-Methylergost-17-ene-3,5,6,11,16-pentol

  • Molecular FormulaC29H50O5
  • Average mass478.704 Da
  • Monoisotopic mass478.365814 Da
  • ChemSpider ID62233279

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,6β,11α,16α,17Z,23R)-23-Methylergost-17-en-3,5,6,11,16-pentol [German] [ACD/IUPAC Name]
(3β,5α,6β,11α,16α,17Z,23R)-23-Methylergost-17-ene-3,5,6,11,16-pentol [ACD/IUPAC Name]
(3β,5α,6β,11α,16α,17Z,23R)-23-Méthylergost-17-ène-3,5,6,11,16-pentol [French] [ACD/IUPAC Name]
Ergost-17-ene-3,5,6,11,16-pentol, 23-methyl-, (3β,5α,6β,11α,16α,17Z,23R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 247.6±26.1 °C
Index of Refraction: 1.571
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1136.50
ACD/KOC (pH 5.5): 5355.20
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1136.50
ACD/KOC (pH 7.4): 5355.20
Polar Surface Area: 101 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 412.4±3.0 cm3

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