ChemSpider 2D Image | Tracheloside | C27H34O12

Tracheloside

  • Molecular FormulaC27H34O12
  • Average mass550.552 Da
  • Monoisotopic mass550.205017 Da
  • ChemSpider ID148248

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4S)-4-[(3,4-DIMETHOXYPHENYL)METHYL]-3-HYDROXY-3-[(3-METHOXY-4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)METHYL]OXOLAN-2-ONE
2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(β-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-3-hydroxy-, (3S-cis)-
2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-3-hydroxy-, (3S,4S)- [ACD/Index Name]
33464-71-0 [RN]
4-{[(3S,4S)-4-(3,4-Dimethoxybenzyl)-3-hydroxy-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{[(3S,4S)-4-(3,4-Dimethoxybenzyl)-3-hydroxy-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Tracheloside
β-D-Glucopyranoside de 4-{[(3S,4S)-4-(3,4-diméthoxybenzyl)-3-hydroxy-2-oxotétrahydro-3-furanyl]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
(3S,4S)-4-(3,4-dimethoxybenzyl)-3-hydroxy-3-(3-methoxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl)dihydrofuran-2(3H)-one
[33464-71-0] [RN]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 769.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 117.6±3.0 kJ/mol
    Flash Point: 253.8±26.4 °C
    Index of Refraction: 1.618
    Molar Refractivity: 135.8±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 5
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: -0.54
    ACD/LogD (pH 5.5): -0.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.77
    ACD/LogD (pH 7.4): -0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.77
    Polar Surface Area: 174 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 67.1±3.0 dyne/cm
    Molar Volume: 387.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement