ChemSpider 2D Image | Methyl 3,4-O-Isopropylidene-D-lyxonate | C9H16O6

Methyl 3,4-O-Isopropylidene-D-lyxonate

  • Molecular FormulaC9H16O6
  • Average mass220.220 Da
  • Monoisotopic mass220.094681 Da
  • ChemSpider ID23936629

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,4-O-Isopropylidène-D-lyxonate de méthyle [French] [ACD/IUPAC Name]
D-Lyxonic acid, 3,4-O-(1-methylethylidene)-, methyl ester [ACD/Index Name]
Methyl 3,4-O-Isopropylidene-D-lyxonate [ACD/IUPAC Name]
Methyl-3,4-O-isopropyliden-D-lyxonat [German] [ACD/IUPAC Name]
1286280-61-2 [RN]
359437-02-8 [RN]
Methyl (2S)-2-hydroxy-2-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
Methyl 3,4-O-(1-methylethylidene)-D-threo-pentonate
Methyl3,4-O-Isopropylidene-D-lyxonate
MFCD01863422 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 327.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±6.0 kJ/mol
    Flash Point: 125.2±15.8 °C
    Index of Refraction: 1.462
    Molar Refractivity: 49.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.05
    ACD/KOC (pH 5.5): 35.96
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.05
    ACD/KOC (pH 7.4): 35.96
    Polar Surface Area: 85 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 180.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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