Found 1 result

Search term: HQGWITLOHQUPBL-NFHCHMPHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3alpha,5xi)-3,24-Dihydroxyolean-12-en-27-oic acid | C30H48O4

(3α,5ξ)-3,24-Dihydroxyolean-12-en-27-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23271081

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,5ξ)-3,24-Dihydroxyolean-12-en-27-oic acid [ACD/IUPAC Name]
(3α,5ξ)-3,24-Dihydroxyolean-12-en-27-säure [German] [ACD/IUPAC Name]
Acide (3α,5ξ)-3,24-dihydroxyoléan-12-én-27-oïque [French] [ACD/IUPAC Name]
Olean-12-en-27-oic acid, 3,24-dihydroxy-, (3α,5ξ)- [ACD/Index Name]
3α,24-dihydroxyolean-12-en-27-oic acid
CHEMBL207657

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.7±6.0 kJ/mol
Flash Point: 323.2±26.6 °C
Index of Refraction: 1.569
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 14422.64
ACD/KOC (pH 5.5): 16305.04
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 228.13
ACD/KOC (pH 7.4): 257.90
Polar Surface Area: 78 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 412.1±5.0 cm3

Click to predict properties on the Chemicalize site


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