ChemSpider 2D Image | (3R,4S,5S)-3,4-Dihydroxy-5-[(1S,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone | C7H12O7

(3R,4S,5S)-3,4-Dihydroxy-5-[(1S,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID19101609

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4S,5S)-3,4-Dihydroxy-5-[(1S,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,4S,5S)-3,4-Dihydroxy-5-[(1S,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,4S,5S)-3,4-Dihydroxy-5-[(1S,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
201-929-6 [EINECS]
22404-04-2 [RN]
3,4-Dihydroxy-5-(1,2,3-trihydroxypropyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
89-67-8 [RN]
D-GLUCOHEPTONO-1,4-LACTONE
D-Glycero-D-gulo-heptonic acid ?-lactone
D-Glycero-D-guloheptono-?-lactone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.0 g/cm3
    Boiling Point: 557.5±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±0.0 kJ/mol
    Flash Point: 232.2±0.0 °C
    Index of Refraction: 1.645
    Molar Refractivity: 41.8±0.0 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: -3.74
    ACD/LogD (pH 5.5): -3.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 16.6±0.0 10-24cm3
    Surface Tension: 119.7±0.0 dyne/cm
    Molar Volume: 115.2±0.0 cm3

    Click to predict properties on the Chemicalize site


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