ChemSpider 2D Image | TAXIFOLIN 3'-GLUCOSIDE | C21H22O12

TAXIFOLIN 3'-GLUCOSIDE

  • Molecular FormulaC21H22O12
  • Average mass466.392 Da
  • Monoisotopic mass466.111115 Da
  • ChemSpider ID23550910

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-Hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
31106-05-5 [RN]
4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)- [ACD/Index Name]
TAXIFOLIN 3'-GLUCOSIDE
β-D-Glucopyranoside de 2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chroman-4-one
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]chroman-4-one
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chroman-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

779OJU5O9Q [DBID]
UNII:779OJU5O9Q [DBID]
UNII-779OJU5O9Q [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 869.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 305.4±27.8 °C
Index of Refraction: 1.738
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.53
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 207 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 106.2±3.0 dyne/cm
Molar Volume: 267.3±3.0 cm3

Click to predict properties on the Chemicalize site


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