ChemSpider 2D Image | (2alpha,3alpha,5beta,8alpha,9xi,10alpha,14xi,17alpha)-2,3-Dihydroxyolean-12-ene-23,28-dioic acid | C30H46O6

(2α,3α,5β,8α,9ξ,10α,14ξ,17α)-2,3-Dihydroxyolean-12-ene-23,28-dioic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID4484648

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2α,3α,5β,8α,9ξ,10α,14ξ,17α)-2,3-Dihydroxyolean-12-en-23,28-disäure [German] [ACD/IUPAC Name]
(2α,3α,5β,8α,9ξ,10α,14ξ,17α)-2,3-Dihydroxyolean-12-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (2α,3α,5β,8α,9ξ,10α,14ξ,17α)-2,3-dihydroxyoléan-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, (2α,3α,5β,8α,9ξ,10α,14ξ,17α)- [ACD/Index Name]

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

NSC 382025 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 352.4±28.0 °C
Index of Refraction: 1.587
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 161.28
ACD/KOC (pH 5.5): 275.81
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 115 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 406.8±5.0 cm3

Click to predict properties on the Chemicalize site


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