ChemSpider 2D Image | 1,3-Dihydroxy-23-oxo-9,19-cyclolanost-24-en-28-oic acid | C30H46O5

1,3-Dihydroxy-23-oxo-9,19-cyclolanost-24-en-28-oic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID24622189

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1,3-Dihydroxy-23-oxo-9,19-cyclolanost-24-en-28-oic acid [ACD/IUPAC Name]
1,3-Dihydroxy-23-oxo-9,19-cyclolanost-24-en-28-säure [German] [ACD/IUPAC Name]
9,19-Cyclolanost-24-en-28-oic acid, 1,3-dihydroxy-23-oxo- [ACD/Index Name]
Acide 1,3-dihydroxy-23-oxo-9,19-cyclolanost-24-én-28-oïque [French] [ACD/IUPAC Name]
108864-53-5 [RN]
GARDENOLIC ACID B
MFCD28100637

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 354.8±28.0 °C
Index of Refraction: 1.574
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 119.42
ACD/KOC (pH 5.5): 431.13
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 2.08
ACD/KOC (pH 7.4): 7.49
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 409.8±5.0 cm3

Click to predict properties on the Chemicalize site


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