ChemSpider 2D Image | 5,6-Dihydroxy-O~15~-methyl-5,6-dihydroretinoic acid | C21H32O4

5,6-Dihydroxy-O15-methyl-5,6-dihydroretinoic acid

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID25992536

  • Double-bond stereo - Double-bond stereo

More details:

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

5,6-Dihydroxy-O15-methyl-5,6-dihydroretinoic acid [ACD/IUPAC Name]
5,6-Dihydroxy-O15-méthyl-5,6-dihydrorétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, 5,6-dihydro-5,6-dihydroxy-O15-methyl- [ACD/Index Name]
methyl (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 441.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 142.5±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 630.14
ACD/KOC (pH 5.5): 3511.08
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.14
ACD/KOC (pH 7.4): 3511.08
Polar Surface Area: 67 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 324.1±3.0 cm3

Click to predict properties on the Chemicalize site


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