ChemSpider 2D Image | Delta(4)-dafachronic acid | C27H42O3

δ(4)-dafachronic acid

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID20045556

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

23017-97-2 [RN]
3-oxo-cholest-4-en-26-oic acid
3-Oxocholest-4-en-26-oic acid [ACD/IUPAC Name]
3-Oxocholest-4-en-26-säure [German] [ACD/IUPAC Name]
Acide 3-oxocholest-4-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-4-en-26-oic acid, 3-oxo- [ACD/Index Name]
δ(4)-dafachronic acid
(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
??4-Dafachronic Acid
?4-Dafachronic Acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 554.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 303.3±18.0 °C
Index of Refraction: 1.538
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4314.89
ACD/KOC (pH 5.5): 8396.73
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 69.67
ACD/KOC (pH 7.4): 135.57
Polar Surface Area: 54 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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