ChemSpider 2D Image | (5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)methyl beta-D-glucopyranoside | C16H18O10

(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)methyl β-D-glucopyranoside

  • Molecular FormulaC16H18O10
  • Average mass370.308 Da
  • Monoisotopic mass370.089996 Da
  • ChemSpider ID28524021

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)methyl β-D-glucopyranoside [ACD/IUPAC Name]
(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[(β-D-glucopyranosyloxy)methyl]-5,7-dihydroxy- [ACD/Index Name]
β-D-Glucopyranoside de (5,7-dihydroxy-4-oxo-4H-chromén-2-yl)méthyle [French] [ACD/IUPAC Name]
1401807-73-5 [RN]
5,7-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]chromen-4-one
monnieriside a

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 691.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±3.0 kJ/mol
    Flash Point: 255.5±25.0 °C
    Index of Refraction: 1.716
    Molar Refractivity: 83.1±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -1.35
    ACD/LogD (pH 5.5): -0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.15
    ACD/LogD (pH 7.4): -1.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 166 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 108.7±5.0 dyne/cm
    Molar Volume: 211.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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