ChemSpider 2D Image | Ethyl 3-[1-(1,3,24-trihydroxy-9,10-secochola-5,7,10,22-tetraen-24-yl)cyclopropyl]acrylate | C32H46O5

Ethyl 3-[1-(1,3,24-trihydroxy-9,10-secochola-5,7,10,22-tetraen-24-yl)cyclopropyl]acrylate

  • Molecular FormulaC32H46O5
  • Average mass510.705 Da
  • Monoisotopic mass510.334534 Da
  • ChemSpider ID21237096

More details:

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

2-Propenoic acid, 3-[1-[4-[4-[2-(3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-hydroxy-2-penten-1-yl]cyclopropyl]-, ethyl ester [ACD/Index Name]
3-[1-(1,3,24-Trihydroxy-9,10-sécochola-5,7,10,22-tétraén-24-yl)cyclopropyl]acrylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[1-(1,3,24-trihydroxy-9,10-secochola-5,7,10,22-tetraen-24-yl)cyclopropyl]acrylate [ACD/IUPAC Name]
Ethyl-3-[1-(1,3,24-trihydroxy-9,10-secochola-5,7,10,22-tetraen-24-yl)cyclopropyl]acrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 204.4±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10331.22
ACD/KOC (pH 5.5): 25996.77
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10331.22
ACD/KOC (pH 7.4): 25996.77
Polar Surface Area: 87 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 443.6±5.0 cm3

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