ChemSpider 2D Image | 10,11-Dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid | C31H44O5

10,11-Dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID57971874

More details:






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

10,11-Dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picencarbonsäure [German] [ACD/IUPAC Name]
10,11-Dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxylic acid [ACD/IUPAC Name]
2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-10,11-dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,9,12b,14a-hexamethyl- [ACD/Index Name]
Acide 10,11-dihydroxy-8-(1-hydroxyéthyl)-2,4a,6a,9,12b,14a-hexaméthyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tétradécahydro-2-picènecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 647.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 359.2±28.0 °C
Index of Refraction: 1.612
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 25913.70
ACD/KOC (pH 5.5): 29897.74
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 414.70
ACD/KOC (pH 7.4): 478.45
Polar Surface Area: 98 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

Click to predict properties on the Chemicalize site






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