ChemSpider 2D Image | (1S)-1-[(4S,4'S,5R,5'S)-5'-(Hydroxymethyl)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1,2-ethanediol (non-preferred name) | C13H24O7

(1S)-1-[(4S,4'S,5R,5'S)-5'-(Hydroxymethyl)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1,2-ethanediol (non-preferred name)

  • Molecular FormulaC13H24O7
  • Average mass292.326 Da
  • Monoisotopic mass292.152191 Da
  • ChemSpider ID73987127

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1-[(4S,4'S,5R,5'S)-5'-(Hydroxymethyl)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1,2-ethandiol (non-preferred name) [German] [ACD/IUPAC Name]
(1S)-1-[(4S,4'S,5R,5'S)-5'-(Hydroxymethyl)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-dioxol-5-yl]-1,2-ethanediol (non-preferred name) [ACD/IUPAC Name]
(1S)-1-[(4S,4'S,5R,5'S)-5'-(Hydroxyméthyl)-2,2,2',2'-tétraméthyl-4,4'-bi-1,3-dioxol-5-yl]-1,2-éthanediol (non-preferred name) [French] [ACD/IUPAC Name]
144320-10-5 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 434.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±6.0 kJ/mol
    Flash Point: 216.6±27.3 °C
    Index of Refraction: 1.486
    Molar Refractivity: 69.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.28
    ACD/KOC (pH 5.5): 41.47
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.28
    ACD/KOC (pH 7.4): 41.47
    Polar Surface Area: 98 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 241.3±3.0 cm3

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