ChemSpider 2D Image | 7-[(6-Deoxy-alpha-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-beta-D-glucopyranoside | C29H32O17

7-[(6-Deoxy-α-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID26343636

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-Acétyl-β-D-glucopyranoside de 7-[(6-désoxy-α-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2-O-acetyl-β-D-glucopyranosyl)oxy]-7-[(6-deoxy-α-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy- [ACD/Index Name]
7-[(6-Deoxy-α-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-α-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl-2-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 975.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.9±3.0 kJ/mol
Flash Point: 317.5±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

Click to predict properties on the Chemicalize site


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