ChemSpider 2D Image | Arillatose B | C22H30O14

Arillatose B

  • Molecular FormulaC22H30O14
  • Average mass518.465 Da
  • Monoisotopic mass518.163574 Da
  • ChemSpider ID4885007

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

6-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
Arillatose B
α-D-Glucopyranoside, β-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
β-D-Fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-glucopyranosid [German] [ACD/IUPAC Name]
?-D-Fructofuranosyl6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-?-D-glucopyranoside
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
[137941-45-8] [RN]
137941-45-8 [RN]
6-O-Feruloylsucrose
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 843.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.4±3.0 kJ/mol
    Flash Point: 287.2±27.8 °C
    Index of Refraction: 1.663
    Molar Refractivity: 117.6±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 8
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): -0.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.78
    ACD/LogD (pH 7.4): -0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.73
    Polar Surface Area: 225 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 95.8±5.0 dyne/cm
    Molar Volume: 317.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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