ChemSpider 2D Image | 7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 4-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C29H32O16

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

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID103884976

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

104594-65-2 [RN]
4H-1-Benzopyran-4-one, 3-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy- [ACD/Index Name]
4-O-Acétyl-6-désoxy-α-L-mannopyranoside de 7-[(6-désoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl-4-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 929.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 303.4±27.8 °C
Index of Refraction: 1.709
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.33
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 101.8±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

Click to predict properties on the Chemicalize site


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