ChemSpider 2D Image | 2-Methoxy-4-[(Z)-(5-oxo-5,7,8,9-tetrahydro-6H-benzo[7]annulen-6-ylidene)methyl]phenyl beta-D-galactopyranoside | C25H28O8

2-Methoxy-4-[(Z)-(5-oxo-5,7,8,9-tetrahydro-6H-benzo[7]annulen-6-ylidene)methyl]phenyl β-D-galactopyranoside

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID29770118

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Methoxy-4-[(Z)-(5-oxo-5,7,8,9-tetrahydro-6H-benzo[7]annulen-6-yliden)methyl]phenyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-Methoxy-4-[(Z)-(5-oxo-5,7,8,9-tetrahydro-6H-benzo[7]annulen-6-ylidene)methyl]phenyl β-D-galactopyranoside [ACD/IUPAC Name]
5H-Benzocyclohepten-5-one, 6-[[4-(β-D-galactopyranosyloxy)-3-methoxyphenyl]methylene]-6,7,8,9-tetrahydro-, (6Z)- [ACD/Index Name]
β-D-Galactopyranoside de 2-méthoxy-4-[(Z)-(5-oxo-5,7,8,9-tétrahydro-6H-benzo[7]annulén-6-ylidène)méthyl]phényle [French] [ACD/IUPAC Name]
(6Z)-6-[[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 720.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.5±3.0 kJ/mol
    Flash Point: 246.6±26.4 °C
    Index of Refraction: 1.655
    Molar Refractivity: 120.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.02
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 8.44
    ACD/KOC (pH 5.5): 160.25
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 8.44
    ACD/KOC (pH 7.4): 160.25
    Polar Surface Area: 126 Å2
    Polarizability: 47.9±0.5 10-24cm3
    Surface Tension: 66.9±3.0 dyne/cm
    Molar Volume: 329.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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