ChemSpider 2D Image | 3-{[6-O-(6-Deoxy-beta-D-allopyranosyl)-beta-D-gulopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-beta-L-allopyranoside | C33H40O19

3-{[6-O-(6-Deoxy-β-D-allopyranosyl)-β-D-gulopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-β-L-allopyranoside

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID10142668

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

3-{[6-O-(6-Deoxy-β-D-allopyranosyl)-β-D-gulopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-β-L-allopyranoside [ACD/IUPAC Name]
3-{[6-O-(6-Desoxy-β-D-allopyranosyl)-β-D-gulopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-β-L-allopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-β-D-allopyranosyl)-β-D-gulopyranosyl]oxy]-7-[(6-deoxy-β-L-allopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-β-L-allopyranoside de 3-{[6-O-(6-désoxy-β-D-allopyranosyl)-β-D-gulopyranosyl]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: 1064.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.4±3.0 kJ/mol
Flash Point: 335.7±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.30
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 111.7±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

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