ChemSpider 2D Image | (3beta,20beta)-3,20-Dihydroxyursan-28-oic acid | C30H50O4

(3β,20β)-3,20-Dihydroxyursan-28-oic acid

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID24720549
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β,20β)-3,20-Dihydroxyursan-28-oic acid [ACD/IUPAC Name]
(3β,20β)-3,20-Dihydroxyursan-28-säure [German] [ACD/IUPAC Name]
Acide (3β,20β)-3,20-dihydroxyursan-28-oïque [French] [ACD/IUPAC Name]
Ursan-28-oic acid, 3,20-dihydroxy-, (3β,20β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 575.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 315.9±22.4 °C
Index of Refraction: 1.532
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 19322.13
ACD/KOC (pH 5.5): 21466.81
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 303.60
ACD/KOC (pH 7.4): 337.30
Polar Surface Area: 78 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 436.4±3.0 cm3

Click to predict properties on the Chemicalize site






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