ChemSpider 2D Image | 2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl 2-O-acetyl-6-deoxy-3-O-(2,3,6-tri-O-acetyl-beta-D-glucopyranosyl)-alpha-L-mannopyranoside | C35H40O19

2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl 2-O-acetyl-6-deoxy-3-O-(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)-α-L-mannopyranoside

  • Molecular FormulaC35H40O19
  • Average mass764.681 Da
  • Monoisotopic mass764.216370 Da
  • ChemSpider ID10167647

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl 2-O-acetyl-6-deoxy-3-O-(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
2-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-4-hydroxyphenyl-2-O-acetyl-6-desoxy-3-O-(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-6-désoxy-3-O-(2,3,6-tri-O-acétyl-β-D-glucopyranosyl)-α-L-mannopyranoside de 2-[(2S)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-4-hydroxyphényle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-[[2-O-acetyl-6-deoxy-3-O-(2,3,6-tri-O-acetyl-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-5-hydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- [ACD/Index Name]
(2S)-5,7,5'-trihydroxyflavanone 2'-O-β-D-3,4,6-tri-O-acetylglucopyranosyl-(1->3)-α-L-2-O-acetylrhamnopyanoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507641/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 925.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 286.0±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 175.5±0.4 cm3
#H bond acceptors: 19
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.23
ACD/KOC (pH 5.5): 504.54
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 16.57
ACD/KOC (pH 7.4): 197.98
Polar Surface Area: 270 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 494.4±5.0 cm3

Click to predict properties on the Chemicalize site


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