ChemSpider 2D Image | Cimidahurinine | C14H20O8

Cimidahurinine

  • Molecular FormulaC14H20O8
  • Average mass316.304 Da
  • Monoisotopic mass316.115814 Da
  • ChemSpider ID28425499

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

142542-89-0 [RN]
2-Hydroxy-5-(2-hydroxyethyl)phenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-5-(2-hydroxyethyl)phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-HYDROXYTYROSOL 3-O-GLUCOSIDE
Cimidahurinine
β-D-Glucopyranoside de 2-hydroxy-5-(2-hydroxyéthyl)phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-hydroxy-5-(2-hydroxyethyl)phenyl [ACD/Index Name]
[142542-89-0] [RN]
CIMIDAHURNINE
MFCD11975466

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

J88XB1FJ39 [DBID]
UNII:J88XB1FJ39 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 611.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.4±3.0 kJ/mol
    Flash Point: 323.5±31.5 °C
    Index of Refraction: 1.651
    Molar Refractivity: 74.9±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -2.48
    ACD/LogD (pH 5.5): -1.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.04
    ACD/LogD (pH 7.4): -1.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.02
    Polar Surface Area: 140 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 75.7±3.0 dyne/cm
    Molar Volume: 205.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement