ChemSpider 2D Image | (2beta)-2-Hydroxyhop-22(29)-en-24-oic acid | C30H48O3

(2β)-2-Hydroxyhop-22(29)-en-24-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID28285244

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2β)-2-Hydroxyhop-22(29)-en-24-oic acid [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene-8-carboxylic acid, eicosahydro-10-hydroxy-5a,5b,8,11a,13b-pentamethyl-3-(1-methylethenyl)-, (3S,3aS,5aR,5bR,7aR,8S,10S,11aR,11bR,13aR,13bS)- [ACD/Index Name]
Acide (2β)-2-hydroxyhop-22(29)-én-24-oïque [French] [ACD/IUPAC Name]
dryopteric acid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 300.5±21.9 °C
Index of Refraction: 1.533
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.17
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 54738.05
ACD/KOC (pH 5.5): 42262.96
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 866.20
ACD/KOC (pH 7.4): 668.79
Polar Surface Area: 58 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

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