ChemSpider 2D Image | (2alpha,3alpha)-2,3,24-Trihydroxyursa-12,20(30)-dien-28-oic acid | C30H46O5

(2α,3α)-2,3,24-Trihydroxyursa-12,20(30)-dien-28-oic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID108341300

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3α)-2,3,24-Trihydroxyursa-12,20(30)-dien-28-oic acid [ACD/IUPAC Name]
(2α,3α)-2,3,24-Trihydroxyursa-12,20(30)-dien-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3α)-2,3,24-trihydroxyursa-12,20(30)-dién-28-oïque [French] [ACD/IUPAC Name]
Ursa-12,20(30)-dien-28-oic acid, 2,3,24-trihydroxy-, (2α,3α)- [ACD/Index Name]
(1R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
2??,3??,24-Trihydroxyursa-12,20(30)-dien-28-oic acid
2α,3α,24-Trihydroxy-19β-methyl-30-noroleana-12,20(29)-diene-28-oic acid
341503-22-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 340.4±28.0 °C
Index of Refraction: 1.587
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 2389.25
ACD/KOC (pH 5.5): 4638.87
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 37.62
ACD/KOC (pH 7.4): 73.04
Polar Surface Area: 98 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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