ChemSpider 2D Image | 3,4,5,6-Tetra-O-acetyl-D-myo-inositol | C14H20O10

3,4,5,6-Tetra-O-acetyl-D-myo-inositol

  • Molecular FormulaC14H20O10
  • Average mass348.303 Da
  • Monoisotopic mass348.105652 Da
  • ChemSpider ID18557494

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3R,4S,5R,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetraacetate [ACD/IUPAC Name]
(1S,2R,3R,4S,5R,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexantetrayl-tetraacetat [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4-tetraacetate, (1S,2R,3R,4S,5R,6S)- [ACD/Index Name]
3,4,5,6-Tetra-O-acetyl-D-myo-inositol
80953-32-8 [RN]
Tetraacétate de (1S,2R,3R,4S,5R,6S)-5,6-dihydroxy-1,2,3,4-cyclohexanetétrayle [French] [ACD/IUPAC Name]
(1S,2R,3R,4S,5R,6S)-5,6-Dihydroxycyclohexane-1,2,3,4-tetrayl tetraacetate
[(1S,2R,3R,4S,5R,6S)-2,3,4-triacetyloxy-5,6-dihydroxycyclohexyl] acetate
1,4,5,6-Tetraacetate
3,4,5,6-Tetra-O-acetyl myo-Inositol
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 402.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±6.0 kJ/mol
    Flash Point: 138.5±22.2 °C
    Index of Refraction: 1.509
    Molar Refractivity: 75.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: -0.81
    ACD/LogD (pH 5.5): -0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.03
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.02
    Polar Surface Area: 146 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 54.7±5.0 dyne/cm
    Molar Volume: 252.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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