Found 1 result

Search term: KEQDOJREOWPGDT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5xi,8alpha,9xi,10alpha,14beta,17alpha,18xi)-21-Acetoxy-3-oxoolean-12-en-28-oic acid | C32H48O5

(5ξ,8α,9ξ,10α,14β,17α,18ξ)-21-Acetoxy-3-oxoolean-12-en-28-oic acid

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID30650693

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(5ξ,8α,9ξ,10α,14β,17α,18ξ)-21-Acetoxy-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ,8α,9ξ,10α,14β,17α,18ξ)-21-Acetoxy-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,8α,9ξ,10α,14β,17α,18ξ)-21-acétoxy-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 21-(acetyloxy)-3-oxo-, (5ξ,8α,9ξ,10α,14β,17α,18ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 181.3±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 25158.59
ACD/KOC (pH 5.5): 22700.69
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 405.64
ACD/KOC (pH 7.4): 366.01
Polar Surface Area: 81 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

Click to predict properties on the Chemicalize site


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