ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-2,3-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-alpha-D-erythro-hex-2-enopyranoside | C37H38O18

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-2,3-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-erythro-hex-2-enopyranoside

  • Molecular FormulaC37H38O18
  • Average mass770.687 Da
  • Monoisotopic mass770.205811 Da
  • ChemSpider ID24633841

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[[6-O-acetyl-2,3-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-erythro-hex-2-enopyranosyl]oxy]-5-hydroxy-3-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-2,3-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-erythro-hex-2-enopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-acetyl-2,3-didesoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-erythro-hex-2-enopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-2,3-didésoxy-4-O-(2,3,4,6-tétra-O-acétyl-β-D-galactopyranosyl)-α-D-érythro-hex-2-énopyranoside de 5-hydroxy-3-(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: 1.5±0.1 g/cm3
Boiling Point: 858.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 261.7±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 181.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 298.99
ACD/KOC (pH 5.5): 1937.77
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 18.72
ACD/KOC (pH 7.4): 121.36
Polar Surface Area: 235 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 522.6±5.0 cm3

Click to predict properties on the Chemicalize site


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