ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C37H38O19

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC37H38O19
  • Average mass786.686 Da
  • Monoisotopic mass786.200745 Da
  • ChemSpider ID8875800

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-3-O-[3-(benzyloxy)-3-oxopropanoyl]-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-[3-(Benzyloxy)-3-oxopropanoyl]-6-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-3-O-[1,3-dioxo-3-(phenylmethoxy)propyl]- [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: 1039.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.3±3.0 kJ/mol
Flash Point: 322.1±27.8 °C
Index of Refraction: 1.722
Molar Refractivity: 183.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 112.79
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.99
Polar Surface Area: 298 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 105.1±5.0 dyne/cm
Molar Volume: 464.1±5.0 cm3

Click to predict properties on the Chemicalize site


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