ChemSpider 2D Image | D-Glucoheptonic acid-1,4-lactone | C7H12O7

D-Glucoheptonic acid-1,4-lactone

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID18655552
  • 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-[(1R,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,4S,5S)-3,4-Dihydroxy-5-[(1R,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,4S,5S)-3,4-Dihydroxy-5-[(1R,2S)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
89-67-8 [RN]
D-Glucoheptonic acid-1,4-lactone
201-929-6 [EINECS]
D-Glycero-D-gulo-heptonic acid ?-lactone
D-glycero-D-gulo-Heptonicacid, g-lactone
D-Glycero-D-gulo-heptonicacid,g-lactone
D-glycero-D-gulo-heptono-1,4-lactone
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.8±0.1 g/cm3
    Boiling Point: 557.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±6.0 kJ/mol
    Flash Point: 232.2±18.1 °C
    Index of Refraction: 1.645
    Molar Refractivity: 41.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -3.62
    ACD/LogD (pH 5.5): -3.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 119.7±3.0 dyne/cm
    Molar Volume: 115.2±3.0 cm3

    Click to predict properties on the Chemicalize site






    Advertisement