ChemSpider 2D Image | 4-Methoxyphenyl 2-O-Acetyl-3-O-allyl-4,6-O-benzylidene-beta-D-glucopyranoside | C25H28O8

4-Methoxyphenyl 2-O-Acetyl-3-O-allyl-4,6-O-benzylidene-β-D-glucopyranoside

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID44750801

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4aR,6S,7R,8S,8aR)-6-(4-methoxyphenoxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl acetate
1477956-18-5 [RN]
2-O-Acétyl-3-O-allyl-4,6-O-benzylidène-β-D-glucopyranoside de 4-méthoxyphényle [French] [ACD/IUPAC Name]
4-Methoxyphenyl 2-O-Acetyl-3-O-allyl-4,6-O-benzylidene-β-D-glucopyranoside [ACD/IUPAC Name]
4-Methoxyphenyl-2-O-acetyl-3-O-allyl-4,6-O-benzyliden-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-methoxyphenyl 4,6-O-(phenylmethylene)-3-O-2-propen-1-yl-, acetate [ACD/Index Name]
[1477956-18-5] [RN]
MFCD20265596

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 581.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.0±3.0 kJ/mol
    Flash Point: 249.6±30.2 °C
    Index of Refraction: 1.574
    Molar Refractivity: 119.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.10
    ACD/LogD (pH 5.5): 4.86
    ACD/BCF (pH 5.5): 2904.15
    ACD/KOC (pH 5.5): 10481.51
    ACD/LogD (pH 7.4): 4.86
    ACD/BCF (pH 7.4): 2904.15
    ACD/KOC (pH 7.4): 10481.51
    Polar Surface Area: 82 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 49.8±5.0 dyne/cm
    Molar Volume: 362.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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