ChemSpider 2D Image | Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside) | C32H38O20

Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside)

  • Molecular FormulaC32H38O20
  • Average mass742.632 Da
  • Monoisotopic mass742.195618 Da
  • ChemSpider ID4445007

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

129235-39-8 [RN]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->6)-O-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
6-Désoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside)
4H-1-Benzopyran-4-one,3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-xylopyranosyl-(1®2)]-b-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
quercetin 3-<i&gt;O</i>-{&;β;-L-rhamnosyl-(1->6)]-&β;-D-glucoside}
Quercetin 3-(2G-xylosylrutinoside)
QUERCETIN 3-O-SS-(2(G)-O-SS-XYLOPYRANOSYL-6(G)-O-A-RHAMNOPYRANOSYL)GLUCOPYRANOSIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C10175 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1099.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.2±3.0 kJ/mol
Flash Point: 348.1±27.8 °C
Index of Refraction: 1.757
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.68
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 126.7±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

Click to predict properties on the Chemicalize site


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