ChemSpider 2D Image | (2alpha,3beta)-2,3-Diacetoxyolean-12-en-28-oic acid | C34H52O6

(2α,3β)-2,3-Diacetoxyolean-12-en-28-oic acid

  • Molecular FormulaC34H52O6
  • Average mass556.773 Da
  • Monoisotopic mass556.376404 Da
  • ChemSpider ID23327374

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β)-2,3-Diacetoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β)-2,3-Diacetoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
6089-92-5 [RN]
Acide (2α,3β)-2,3-diacétoxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,3-bis(acetyloxy)-, (2α,3β)- [ACD/Index Name]
(2α,3β)- 2,3-Bis(acetyloxy)-olean- 12-en-28-oic acid
(2α,3β)-2,3-bis(acetyloxy)olean-12-en-28-oic acid
(2α,3β)-2,3-BIS-(ACETYLOXY)-OLEAN-12-EN-28-OIC ACID
2,3-di-o-acetylmaslinic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 180.0±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.28
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 444507.53
ACD/KOC (pH 5.5): 208145.48
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 6990.45
ACD/KOC (pH 7.4): 3273.35
Polar Surface Area: 90 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 488.0±5.0 cm3

Click to predict properties on the Chemicalize site


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