ChemSpider 2D Image | (3beta,21R,24S)-21,24-Cyclolanosta-7,9(11)-diene-3,21,25-triol | C30H48O3

(3β,21R,24S)-21,24-Cyclolanosta-7,9(11)-diene-3,21,25-triol

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID78437296

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,21R,24S)-21,24-Cyclolanosta-7,9(11)-dien-3,21,25-triol [German] [ACD/IUPAC Name]
(3β,21R,24S)-21,24-Cyclolanosta-7,9(11)-diene-3,21,25-triol [ACD/IUPAC Name]
(3β,21R,24S)-21,24-Cyclolanosta-7,9(11)-diène-3,21,25-triol [French] [ACD/IUPAC Name]
21,24-Cyclolanosta-7,9(11)-diene-3,21,25-triol, (3β,21R,24S)- [ACD/Index Name]
Inonotsutriol C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 240.5±24.7 °C
Index of Refraction: 1.572
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22228.22
ACD/KOC (pH 5.5): 44988.34
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22228.22
ACD/KOC (pH 7.4): 44988.34
Polar Surface Area: 61 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

Click to predict properties on the Chemicalize site


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