ChemSpider 2D Image | (3beta,5alpha,6beta,22E,24R)-6-Butoxystigmasta-7,22-diene-3,5-diol | C33H56O3

(3β,5α,6β,22E,24R)-6-Butoxystigmasta-7,22-diene-3,5-diol

  • Molecular FormulaC33H56O3
  • Average mass500.796 Da
  • Monoisotopic mass500.422943 Da
  • ChemSpider ID9354653

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6β,22E,24R)-6-Butoxystigmasta-7,22-dien-3,5-diol [German] [ACD/IUPAC Name]
(3β,5α,6β,22E,24R)-6-Butoxystigmasta-7,22-diene-3,5-diol [ACD/IUPAC Name]
(3β,5α,6β,22E,24R)-6-Butoxystigmasta-7,22-diène-3,5-diol [French] [ACD/IUPAC Name]
Stigmasta-7,22-diene-3,5-diol, 6-butoxy-, (3β,5α,6β,22E,24R)- [ACD/Index Name]
homaxisterol A4
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL475876/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.73
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 939386.06
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 939386.06
Polar Surface Area: 50 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 485.7±5.0 cm3

Click to predict properties on the Chemicalize site


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