ChemSpider 2D Image | Myricetin-3-Xyloside | C20H18O12

Myricetin-3-Xyloside

  • Molecular FormulaC20H18O12
  • Average mass450.350 Da
  • Monoisotopic mass450.079834 Da
  • ChemSpider ID22913088

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-(β-D-xylopyranosyloxy)- [ACD/Index Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
myricetin-3-O-β-D-xylopyranoside
Myricetin-3-Xyloside
β-D-Xylopyranoside de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
102849-44-5 [RN]
Myrc-3-Xyl
Myricetin 3-xyloside
  • Miscellaneous

    • Chemical Class:

      A xylose derivative that is <stereo>beta</stereo>-<stereo>D</stereo>-xylose in which the hydrogen of the anomeric hydroxy group is replaced by myricetin. it has been isolated from <ital>Mimosa diplotr icha</ital>. ChEBI CHEBI:69458
      A xylose derivative that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by myricetin. it has been isolated from Mimosa diplotr; icha. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69458
      A xylose derivative that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by myricetin. it has been isolated from Mimosa diplotricha. ChEBI CHEBI:69458

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

Density: 2.0±0.1 g/cm3
Boiling Point: 916.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 325.2±27.8 °C
Index of Refraction: 1.834
Molar Refractivity: 101.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 34.08
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 148.2±5.0 dyne/cm
Molar Volume: 230.0±5.0 cm3

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