ChemSpider 2D Image | 3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-(6-deoxyhexopyranosyl)hexopyranoside | C39H50O24

3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID4589951

More details:

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

3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-3-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-3-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-deoxy-3-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-3-O-(6-désoxyhexopyranosyl)hexopyranoside de 3-[(6-O-hexopyranosylhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
81944-31-2 [RN]
Brucella melitensis M antigen
M Antigen (brucella melitensis)
Melitin
Melitine

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1219.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 189.8±3.0 kJ/mol
Flash Point: 367.2±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 507.1±5.0 cm3

Click to predict properties on the Chemicalize site


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