ChemSpider 2D Image | (1alpha,3beta,9beta)-1,3-Dihydroxy-23-oxo-9,19-cyclolanostan-28-oic acid | C30H48O5

(1α,3β,9β)-1,3-Dihydroxy-23-oxo-9,19-cyclolanostan-28-oic acid

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID29355656

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,3β,9β)-1,3-Dihydroxy-23-oxo-9,19-cyclolanostan-28-oic acid [ACD/IUPAC Name]
(1α,3β,9β)-1,3-Dihydroxy-23-oxo-9,19-cyclolanostan-28-säure [German] [ACD/IUPAC Name]
9,19-Cyclolanostan-28-oic acid, 1,3-dihydroxy-23-oxo-, (1α,3β,9β)- [ACD/Index Name]
Acide (1α,3β,9β)-1,3-dihydroxy-23-oxo-9,19-cyclolanostan-28-oïque [French] [ACD/IUPAC Name]
carinatin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 346.1±28.0 °C
Index of Refraction: 1.563
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 203.63
ACD/KOC (pH 5.5): 631.61
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 3.54
ACD/KOC (pH 7.4): 10.98
Polar Surface Area: 95 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 417.2±5.0 cm3

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