ChemSpider 2D Image | 2,5-Anhydro-3,4-dideoxyhexitol | C6H12O3

2,5-Anhydro-3,4-dideoxyhexitol

  • Molecular FormulaC6H12O3
  • Average mass132.158 Da
  • Monoisotopic mass132.078644 Da
  • ChemSpider ID21159452

More details:

Featured data source
The Merck Index Online

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

[5-(Hydroxymethyl)tetrahydrofuran-2-yl]methanol
104-80-3 [RN]
2,5-Anhydro-3,4-dideoxyhexitol [ACD/IUPAC Name]
2,5-Anhydro-3,4-didesoxyhexitol [German] [ACD/IUPAC Name]
2,5-Anhydro-3,4-didésoxyhexitol [French] [ACD/IUPAC Name]
2,5-Bis(hydroxymethyl)tetrahydrofuran
2,5-Bis[hydroxymethyl]tetrahydrofuran
2,5-dihydroxymethyltetrahydrofuran
2,5-TETRAHYDROFURANDIMETHANOL, ((2R,5R)-
2,5-TETRAHYDROFURANDIMETHANOL, ((2S,5S)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

51JJ61CEX2 [DBID]
97917M2UP4 [DBID]
NSC 40741 [DBID]
V6M3Y8N56U [DBID]
VZG2W7X75O [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 261.6±5.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±6.0 kJ/mol
    Flash Point: 112.0±17.6 °C
    Index of Refraction: 1.468
    Molar Refractivity: 32.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.10
    ACD/LogD (pH 5.5): -0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.97
    ACD/LogD (pH 7.4): -0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.97
    Polar Surface Area: 50 Å2
    Polarizability: 12.9±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 116.9±3.0 cm3

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