ChemSpider 2D Image | 3-[(6-O-Acetyl-alpha-D-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-beta-D-allopyranoside | C29H32O16

3-[(6-O-Acetyl-α-D-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-β-D-allopyranoside

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID113610849

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-[(6-O-Acetyl-α-D-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-β-D-allopyranoside [ACD/IUPAC Name]
3-[(6-O-Acetyl-α-D-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-β-D-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-α-D-mannopyranosyl)oxy]-7-[(6-deoxy-β-D-allopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-β-D-allopyranoside de 3-[(6-O-acétyl-α-D-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [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: 942.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 307.5±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.61
ACD/LogD (pH 7.4): -1.48
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: 101.9±5.0 dyne/cm
Molar Volume: 375.0±5.0 cm3

Click to predict properties on the Chemicalize site


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