ChemSpider 2D Image | 7-[(6-Deoxy-beta-D-allopyranosyl)oxy]-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-alpha-D-xylopyranosyl-beta-D-allopyranoside | C32H38O17

7-[(6-Deoxy-β-D-allopyranosyl)oxy]-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-α-D-xylopyranosyl-β-D-allopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID10145828

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(6-deoxy-β-D-allopyranosyl)oxy]-3-[(6-deoxy-2-O-α-D-xylopyranosyl-β-D-allopyranosyl)oxy]-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-2-O-α-D-xylopyranosyl-β-D-allopyranoside de 7-[(6-désoxy-β-D-allopyranosyl)oxy]-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-[(6-Deoxy-β-D-allopyranosyl)oxy]-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-α-D-xylopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-β-D-allopyranosyl)oxy]-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-α-D-xylopyranosyl-β-D-allopyranosid [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: 985.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.4±3.0 kJ/mol
Flash Point: 314.5±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.63
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.61
Polar Surface Area: 264 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 413.5±5.0 cm3

Click to predict properties on the Chemicalize site


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