ChemSpider 2D Image | Echinocystic acid | C30H48O4

Echinocystic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23089584

  • defined stereocentres - 2 of 9 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3,16-Dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3,16-Dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)-3,16-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Echinocystic acid
Olean-12-en-28-oic acid, 3,16-dihydroxy-, (5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ)- [ACD/Index Name]
510-30-5 [RN]
MFCD00017295 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 321.6±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 15830.14
ACD/KOC (pH 5.5): 16693.39
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 253.12
ACD/KOC (pH 7.4): 266.93
Polar Surface Area: 78 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

Click to predict properties on the Chemicalize site


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