ChemSpider 2D Image | (19xi)-20-Hydroxy-3-oxolupan-28-oic acid | C30H48O4

(19ξ)-20-Hydroxy-3-oxolupan-28-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID115284503
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(19ξ)-20-Hydroxy-3-oxolupan-28-oic acid [ACD/IUPAC Name]
(19ξ)-20-Hydroxy-3-oxolupan-28-säure [German] [ACD/IUPAC Name]
Acide (19ξ)-20-hydroxy-3-oxolupan-28-oïque [French] [ACD/IUPAC Name]
Lupan-28-oic acid, 20-hydroxy-3-oxo-, (19ξ)- [ACD/Index Name]
(3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
20-Hydroxy-3-oxo-28-lupanoic acid
93372-87-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 316.4±16.9 °C
Index of Refraction: 1.533
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 5741.51
ACD/KOC (pH 5.5): 9842.81
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 91.24
ACD/KOC (pH 7.4): 156.41
Polar Surface Area: 75 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

Click to predict properties on the Chemicalize site






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