ChemSpider 2D Image | Cicloxolone | C38H56O7

Cicloxolone

  • Molecular FormulaC38H56O7
  • Average mass624.847 Da
  • Monoisotopic mass624.402588 Da
  • ChemSpider ID32702111

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3β)-3-{[(2-Carboxycyclohexyl)carbonyl]oxy}-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-{[(2-Carboxycyclohexyl)carbonyl]oxy}-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxylic acid, mono[(3β)-30-hydroxy-11,30-dioxoolean-12-en-3-yl] ester [ACD/Index Name]
3F85I03NLO
Acide (3β)-3-{[(2-carboxycyclohexyl)carbonyl]oxy}-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
cicloxolona [Spanish] [INN]
cicloxolone [French] [INN]
Cicloxolone [INN]
cicloxolonum [Latin] [INN]
UNII:3F85I03NLO
More...

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

3798 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 216.4±26.4 °C
Index of Refraction: 1.567
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 8050.01
ACD/KOC (pH 5.5): 5850.24
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 16.49
ACD/KOC (pH 7.4): 11.98
Polar Surface Area: 118 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 522.0±5.0 cm3

Click to predict properties on the Chemicalize site


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