ChemSpider 2D Image | 5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-deoxy-6-O-[6-deoxy-3-O-(3-methylbutanoyl)-beta-D-gulopyranosyl]-beta-D-ribo-hexopyranoside | C33H40O14

5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-deoxy-6-O-[6-deoxy-3-O-(3-methylbutanoyl)-β-D-gulopyranosyl]-β-D-ribo-hexopyranoside

  • Molecular FormulaC33H40O14
  • Average mass660.662 Da
  • Monoisotopic mass660.241821 Da
  • ChemSpider ID4477441

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-Désoxy-6-O-[6-désoxy-3-O-(3-méthylbutanoyl)-β-D-gulopyranosyl]-β-D-ribo-hexopyranoside de 5-hydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[4-deoxy-6-O-[6-deoxy-3-O-(3-methyl-1-oxobutyl)-β-D-gulopyranosyl]-β-D-ribo-hexopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-deoxy-6-O-[6-deoxy-3-O-(3-methylbutanoyl)-β-D-gulopyranosyl]-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-4-desoxy-6-O-[6-desoxy-3-O-(3-methylbutanoyl)-β-D-gulopyranosyl]-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 868.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 274.9±27.8 °C
Index of Refraction: 1.634
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 29.39
ACD/KOC (pH 5.5): 368.12
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 23.03
Polar Surface Area: 200 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 453.6±5.0 cm3

Click to predict properties on the Chemicalize site


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