ChemSpider 2D Image | HYDROXYPINACOLONE RETINOATE | C26H38O3

HYDROXYPINACOLONE RETINOATE

  • Molecular FormulaC26H38O3
  • Average mass398.578 Da
  • Monoisotopic mass398.282104 Da
  • ChemSpider ID32700524

  • Double-bond stereo - Double-bond stereo

More details:

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

893412-73-2 [RN]
HYDROXYPINACOLONE RETINOATE
O15-(3,3-Dimethyl-2-oxobutyl)retinoic acid [ACD/IUPAC Name]
O15-(3,3-Diméthyl-2-oxobutyl)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-(3,3-dimethyl-2-oxobutyl)- [ACD/Index Name]
(2E,4E,6E,8E)-3,3-Dimethyl-2-oxobutyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
(3,3-Dimethyl-2-oxobutyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
MFCD23703841
N-Hydroxyfuran-2-carboximidamide

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

NJ3V2F02E1 [DBID]
UNII:NJ3V2F02E1 [DBID]
UNII-NJ3V2F02E1 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 508.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 214.9±25.4 °C
    Index of Refraction: 1.526
    Molar Refractivity: 123.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 8.34
    ACD/LogD (pH 5.5): 7.11
    ACD/BCF (pH 5.5): 148897.64
    ACD/KOC (pH 5.5): 175521.53
    ACD/LogD (pH 7.4): 7.11
    ACD/BCF (pH 7.4): 148897.64
    ACD/KOC (pH 7.4): 175521.53
    Polar Surface Area: 43 Å2
    Polarizability: 49.0±0.5 10-24cm3
    Surface Tension: 36.5±3.0 dyne/cm
    Molar Volume: 402.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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