ChemSpider 2D Image | (3beta)-3,23-Dihydroxyursa-12,20(30)-dien-28-oic acid | C30H46O4

(3β)-3,23-Dihydroxyursa-12,20(30)-dien-28-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID28527432
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3β)-3,23-Dihydroxyursa-12,20(30)-dien-28-oic acid [ACD/IUPAC Name]
(3β)-3,23-Dihydroxyursa-12,20(30)-dien-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3,23-dihydroxyursa-12,20(30)-dién-28-oïque [French] [ACD/IUPAC Name]
Ursa-12,20(30)-dien-28-oic acid, 3,23-dihydroxy-, (3β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 330.3±26.6 °C
Index of Refraction: 1.575
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 11982.67
ACD/KOC (pH 5.5): 14821.44
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 188.54
ACD/KOC (pH 7.4): 233.21
Polar Surface Area: 78 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

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