ChemSpider 2D Image | N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-L-glucopyranosyl)oxy]benzamide | C32H37NO13

N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-L-glucopyranosyl)oxy]benzamide

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID17461432

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

Benzamide, N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-L-glucopyranosyl)oxy]- [ACD/Index Name]
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-L-glucopyranosyl)oxy]benzamid [German] [ACD/IUPAC Name]
N-(3,4-Dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-L-glucopyranosyl)oxy]benzamide [ACD/IUPAC Name]
N-(3,4-Dihydro-1H-isochromén-1-ylméthyl)-3-méthoxy-4-[(2,3,4,6-tétra-O-acétyl-L-glucopyranosyl)oxy]benzamide [French] [ACD/IUPAC Name]
[(2S,3S,4R,5S)-3,4,5-triacetyloxy-6-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)-2-methoxyphenoxy]oxan-2-yl]methyl acetate
1192058-98-2 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 723.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±3.0 kJ/mol
    Flash Point: 391.3±32.9 °C
    Index of Refraction: 1.574
    Molar Refractivity: 158.0±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 1
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 3.25
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 150.69
    ACD/KOC (pH 5.5): 1260.91
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 150.69
    ACD/KOC (pH 7.4): 1260.91
    Polar Surface Area: 171 Å2
    Polarizability: 62.6±0.5 10-24cm3
    Surface Tension: 57.6±5.0 dyne/cm
    Molar Volume: 478.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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