ChemSpider 2D Image | (3beta,5xi,20beta)-3-Hydroxyursa-12,18-dien-28-oic acid | C30H46O3

(3β,5ξ,20β)-3-Hydroxyursa-12,18-dien-28-oic acid

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID28600499

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5ξ,20β)-3-Hydroxyursa-12,18-dien-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,20β)-3-Hydroxyursa-12,18-dien-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,20β)-3-hydroxyursa-12,18-dién-28-oïque [French] [ACD/IUPAC Name]
Ursa-12,18-dien-28-oic acid, 3-hydroxy-, (3β,5ξ,20β)- [ACD/Index Name]
(20b)-3b-Hydroxyurs-12,18-dien-28-oic acid
(2S,4aS,6aS,6bR,10S,12aR,12bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-hexadecahydropicene-4a(2H)-carboxylic acid
6756-14-5 [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: 572.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 314.1±26.6 °C
Index of Refraction: 1.566
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 214466.94
ACD/KOC (pH 5.5): 121547.86
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 3370.14
ACD/KOC (pH 7.4): 1910.01
Polar Surface Area: 58 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

Click to predict properties on the Chemicalize site


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