ChemSpider 2D Image | (+)-Abscisic Acid-d6 | C15H14D6O4

(+)-Abscisic Acid-d6

  • Molecular FormulaC15H14D6O4
  • Average mass270.354 Da
  • Monoisotopic mass270.173828 Da
  • ChemSpider ID48059010

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(+)-Abscisic Acid-d6
(2Z,4E)-5-[(1S)-1-Hydroxy-6,6-dimethyl-2-(2H3)methyl-4-oxo(2H3)-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid [ACD/IUPAC Name]
(2Z,4E)-5-[(1S)-1-Hydroxy-6,6-dimethyl-2-(2H3)methyl-4-oxo(2H3)-2-cyclohexen-1-yl]-3-methyl-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[(1S)-1-hydroxy-6,6-dimethyl-2-(methyl-d3)-4-oxo-2-cyclohexen-1-yl-3,5,5-d3]-3-methyl-, (2Z,4E)- [ACD/Index Name]
721948-65-8 [RN]
Acide (2Z,4E)-5-[(1S)-1-hydroxy-6,6-diméthyl-2-(2H3)méthyl-4-oxo(2H3)-2-cyclohexén-1-yl]-3-méthyl-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
(+)-CIS,TRANS-ABSCISIC ACID-D6
(2Z,4E)-3-methyl-5-[(1S)-3,5,5-trideuterio-1-hydroxy-6,6-dimethyl-4-oxo-2-(trideuteriomethyl)cyclohex-2-en-1-yl]penta-2,4-dienoic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 458.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.9±6.0 kJ/mol
    Flash Point: 245.4±25.2 °C
    Index of Refraction: 1.583
    Molar Refractivity: 74.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 0.93
    ACD/BCF (pH 5.5): 1.93
    ACD/KOC (pH 5.5): 33.07
    ACD/LogD (pH 7.4): -0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 221.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement