ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 4-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside | C34H40O19

5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 4-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC34H40O19
  • Average mass752.670 Da
  • Monoisotopic mass752.216370 Da
  • ChemSpider ID28518246

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-O-[(3S)-4-Carboxy-3-hydroxy-3-méthylbutanoyl]-2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-galactopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 4-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl-4-O-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 4-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index 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: 1074.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.1±3.0 kJ/mol
Flash Point: 336.3±27.8 °C
Index of Refraction: 1.684
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 97.6±5.0 dyne/cm
Molar Volume: 455.1±5.0 cm3

Click to predict properties on the Chemicalize site


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