ChemSpider 2D Image | Pyrocatechol monoglucoside | C12H16O7

Pyrocatechol monoglucoside

  • Molecular FormulaC12H16O7
  • Average mass272.251 Da
  • Monoisotopic mass272.089600 Da
  • ChemSpider ID29365146

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2400-71-7 [RN]
2-Hydroxyphenyl D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxyphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 2-hydroxyphényle [French] [ACD/IUPAC Name]
D-Glucopyranoside, 2-hydroxyphenyl [ACD/Index Name]
Pyrocatechol monoglucoside
(2R,3S,4S,5R)-2-(Hydroxymethyl)-6-(2-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
[2400-71-7] [RN]
MFCD20275025
MFCD26793450

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 533.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.2±3.0 kJ/mol
    Flash Point: 276.6±30.1 °C
    Index of Refraction: 1.650
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -1.62
    ACD/LogD (pH 5.5): -1.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.36
    ACD/LogD (pH 7.4): -1.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.32
    Polar Surface Area: 120 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 73.5±3.0 dyne/cm
    Molar Volume: 174.9±3.0 cm3

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