ChemSpider 2D Image | SL0101 | C25H24O12

SL0101

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID8634610

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3",4"-Diacetylafezelin
3,4-Di-O-acétyl-6-désoxy-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(3,4-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-3,4-di-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
77307-50-7 [RN]
SL 0101-1
SL0101
(2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl diacetate
[(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 753.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.6±3.0 kJ/mol
    Flash Point: 255.6±26.4 °C
    Index of Refraction: 1.666
    Molar Refractivity: 122.1±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 2.75
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 25.95
    ACD/KOC (pH 5.5): 332.04
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.89
    Polar Surface Area: 178 Å2
    Polarizability: 48.4±0.5 10-24cm3
    Surface Tension: 81.6±5.0 dyne/cm
    Molar Volume: 328.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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