Found 44 results

Search term: MF = 'C_{18}H_{25}NO_{10}'
ChemSpider 2D Image | 2,3,4,6-Tetra-O-acetyl Linamarin | C18H25NO10

2,3,4,6-Tetra-O-acetyl Linamarin

  • Molecular FormulaC18H25NO10
  • Average mass415.392 Da
  • Monoisotopic mass415.147858 Da
  • ChemSpider ID32696940

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tetra-O-acetyl Linamarin
2-Methyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]propanenitrile [ACD/IUPAC Name]
2-Méthyl-2-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]propanenitrile [French] [ACD/IUPAC Name]
2-Methyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]propannitril [German] [ACD/IUPAC Name]
66432-53-9 [RN]
Propanenitrile, 2-methyl-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
Linamarin tetracetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 484.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.0±3.0 kJ/mol
    Flash Point: 210.5±18.9 °C
    Index of Refraction: 1.487
    Molar Refractivity: 94.1±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 9.62
    ACD/KOC (pH 5.5): 175.89
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 9.62
    ACD/KOC (pH 7.4): 175.89
    Polar Surface Area: 147 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 47.5±5.0 dyne/cm
    Molar Volume: 327.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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