ChemSpider 2D Image | Polacandrin | C30H52O5

Polacandrin

  • Molecular FormulaC30H52O5
  • Average mass492.731 Da
  • Monoisotopic mass492.381470 Da
  • ChemSpider ID24695491

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3α,12β,24S)-20,24-Epoxydammaran-1,3,12,25-tetrol [German] [ACD/IUPAC Name]
(1β,3α,12β,24S)-20,24-Epoxydammarane-1,3,12,25-tetrol [ACD/IUPAC Name]
(1β,3α,12β,24S)-20,24-Époxydammarane-1,3,12,25-tétrol [French] [ACD/IUPAC Name]
Dammarane-1,3,12,25-tetrol, 20,24-epoxy-, (1β,3α,12β,24S)- [ACD/Index Name]
Polacandrin
1β,3α,12β,25-Tetrahydroxy-20(S),24(S)-epoxydammarane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL473055/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 974.60
ACD/KOC (pH 5.5): 4797.35
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 974.60
ACD/KOC (pH 7.4): 4797.35
Polar Surface Area: 90 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 437.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement