ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C23H22O11

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID23327064

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

135618-16-5 [RN]
3-O-Acétyl-6-désoxy-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(3-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-3-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470048/
Kaempferol 3-(3''-acetylrhamnoside)
kaempferol-3-O-(3-O-acetyl-α-L-rhamnopyranoside)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 264.0±26.4 °C
Index of Refraction: 1.701
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.10
ACD/KOC (pH 5.5): 168.91
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.52
Polar Surface Area: 172 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 91.2±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

Click to predict properties on the Chemicalize site


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