ChemSpider 2D Image | 2-(beta-D-Glucopyranosyloxy)-5-(9-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 2-O-(4-acetyl-2-methoxyphenyl)-beta-D-glucopyranoside | C38H40O19

2-(β-D-Glucopyranosyloxy)-5-(9-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 2-O-(4-acetyl-2-methoxyphenyl)-β-D-glucopyranoside

  • Molecular FormulaC38H40O19
  • Average mass800.713 Da
  • Monoisotopic mass800.216370 Da
  • ChemSpider ID9938961

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)-5-(9-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 2-O-(4-acetyl-2-methoxyphenyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-5-(9-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl-2-O-(4-acetyl-2-methoxyphenyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(4-Acétyl-2-méthoxyphényl)-β-D-glucopyranoside de 2-(β-D-glucopyranosyloxy)-5-(9-méthoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromén-7-yl)phényle [French] [ACD/IUPAC Name]
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-[3-[[2-O-(4-acetyl-2-methoxyphenyl)-β-D-glucopyranosyl]oxy]-4-(β-D-glucopyranosyloxy)phenyl]-9-methoxy- [ACD/Index 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: 1047.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.6±3.0 kJ/mol
Flash Point: 323.5±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 189.9±0.3 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.41
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.41
Polar Surface Area: 268 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 516.6±3.0 cm3

Click to predict properties on the Chemicalize site


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