ChemSpider 2D Image | norselic acid C | C28H40O3

norselic acid C

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID25054323

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-Oxoergosta-1,4,24(28)-trien-18-oic acid [ACD/IUPAC Name]
3-Oxoergosta-1,4,24(28)-trien-18-säure [German] [ACD/IUPAC Name]
Acide 3-oxoergosta-1,4,24(28)-trién-18-oïque [French] [ACD/IUPAC Name]
Ergosta-1,4,24(28)-trien-18-oic acid, 3-oxo- [ACD/Index Name]
norselic acid C
3-oxo-24-methylene-cholest-1,4-dien-18-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 307.0±26.6 °C
Index of Refraction: 1.552
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 5466.69
ACD/KOC (pH 5.5): 9609.06
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 87.14
ACD/KOC (pH 7.4): 153.18
Polar Surface Area: 54 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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