ChemSpider 2D Image | (6S)-2,6-Anhydro-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonic acid | C9H14O8

(6S)-2,6-Anhydro-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonic acid

  • Molecular FormulaC9H14O8
  • Average mass250.203 Da
  • Monoisotopic mass250.068863 Da
  • ChemSpider ID31045408

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S)-2,6-Anhydro-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonic acid [ACD/IUPAC Name]
(6S)-2,6-Anhydro-3-desoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6S)-2,6-anhydro-3-désoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-érythro-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-manno-Non-2-enonic acid, 2,6-anhydro-3-deoxy- [ACD/Index Name]
188854-96-8 [RN]
2,6-Anhydro-3-deoxy-6-(1,2,3-trihydroxypropyl)hex-2-enonic acid [ACD/IUPAC Name]
2,6-Anhydro-3-deoxy-D-glycero-D-galacto-non-2-enoic Acid
2,6-Anhydro-3-deoxy-D-glycero-D-galacto-non-2-enoic-acid
Kdn-2-en
MFCD02683259

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 692.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 116.0±6.0 kJ/mol
    Flash Point: 275.5±25.0 °C
    Index of Refraction: 1.665
    Molar Refractivity: 52.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -2.44
    ACD/LogD (pH 5.5): -4.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 148 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 118.7±3.0 dyne/cm
    Molar Volume: 140.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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