ChemSpider 2D Image | (3beta,5xi,9xi,13xi,18xi)-3-Hydroxylupan-28-oic acid | C30H50O3

(3β,5ξ,9ξ,13ξ,18ξ)-3-Hydroxylupan-28-oic acid

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID23193407

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,13ξ,18ξ)-3-Hydroxylupan-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,9ξ,13ξ,18ξ)-3-Hydroxylupan-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,9ξ,13ξ,18ξ)-3-hydroxylupan-28-oïque [French] [ACD/IUPAC Name]
Lupan-28-oic acid, 3-hydroxy-, (3β,5ξ,9ξ,13ξ,18ξ)- [ACD/Index Name]
(1S,3aS,5aR,5bR,9S,11aR)-9-Hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 299.0±19.1 °C
Index of Refraction: 1.526
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 123362.38
ACD/KOC (pH 5.5): 86956.67
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 1952.31
ACD/KOC (pH 7.4): 1376.16
Polar Surface Area: 58 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 435.4±3.0 cm3

Click to predict properties on the Chemicalize site


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