ChemSpider 2D Image | (9cis,13cis)-O~15~-[(9Z,12Z)-9,12-Octadecadienoyl]retinol | C38H60O2

(9cis,13cis)-O15-[(9Z,12Z)-9,12-Octadecadienoyl]retinol

  • Molecular FormulaC38H60O2
  • Average mass548.882 Da
  • Monoisotopic mass548.459351 Da
  • ChemSpider ID4944476

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis,13cis)-O15-[(9Z,12Z)-9,12-Octadecadienoyl]retinol [ACD/IUPAC Name]
(9cis,13cis)-O15-[(9Z,12Z)-9,12-Octadecadienoyl]retinol [German] [ACD/IUPAC Name]
(9cis,13cis)-O15-[(9Z,12Z)-9,12-Octadecadienoyl]rétinol [French] [ACD/IUPAC Name]
631-89-0 [RN]
Retinol, O15-[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]-, (9cis,13cis)- [ACD/Index Name]
(2Z,4E,6Z,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAEN-1-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE
(9Z,12Z)-octadeca-9,12-dienoic acid [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] (9Z,12Z)-octadeca-9,12-dienoate
Retinol, 9,12-octadecadienoate, (Z,Z)-

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

61911N8D6W [DBID]
UNII:61911N8D6W [DBID]
UNII-61911N8D6W [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 631.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 78.4±24.0 °C
Index of Refraction: 1.519
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 14.86
ACD/LogD (pH 5.5): 13.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 590.4±3.0 cm3

Click to predict properties on the Chemicalize site


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