ChemSpider 2D Image | (2beta,3beta,16alpha)-2,3,16,23-Tetrahydroxyolean-12-en-28-oic acid | C30H48O6

(2β,3β,16α)-2,3,16,23-Tetrahydroxyolean-12-en-28-oic acid

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID10206788

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,16α)-2,3,16,23-Tetrahydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3β,16α)-2,3,16,23-Tetrahydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
(4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
22338-71-2 [RN]
Acide (2β,3β,16α)-2,3,16,23-tétrahydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,3,16,23-tetrahydroxy-, (2β,3β,16α)- [ACD/Index Name]
Olean-12-en-28-oic acid, 2,3,16,23-tetrahydroxy-, (2β,3β,4α,16α)-
1260-04-4 [RN]
MFCD12911690 [MDL number]
polygalacic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 638.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 353.7±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 345.13
ACD/KOC (pH 5.5): 1068.35
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 5.54
ACD/KOC (pH 7.4): 17.14
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

Click to predict properties on the Chemicalize site


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