ChemSpider 2D Image | (5S)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone | C9H12O6

(5S)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone

  • Molecular FormulaC9H12O6
  • Average mass216.188 Da
  • Monoisotopic mass216.063385 Da
  • ChemSpider ID21475153

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(4S)-2,2-Diméthyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2(5H)-furanone [French] [ACD/IUPAC Name]
(+)-5,6-O-Isopropylidene-L-ascorbic acid
(+)-L-Ascorbic acid acetonide; (5R)-(+)-3,4-Dihydroxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]furan-2(5H)-one
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
15042-01-0 [RN]
5-((4R)-2,2-dimethyl(1,3-dioxolan-4-yl))(5S)-3,4-dihydroxy-5-hydrofuran-2-one
64550-45-4 [RN]
L-Ascorbic Acid Acetonide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 395.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±6.0 kJ/mol
    Flash Point: 161.0±21.4 °C
    Index of Refraction: 1.580
    Molar Refractivity: 47.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.02
    ACD/LogD (pH 5.5): -2.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 64.8±3.0 dyne/cm
    Molar Volume: 142.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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