ChemSpider 2D Image | 4,5-Anhydro-1,2-dideoxy-2-{3-[(3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-2,4,6-trimethyl-5-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}heptanoyl)oxy]-1-hydroxy-2-methylbutyl}-4-methylpent-3 -ulose | C36H65NO12

4,5-Anhydro-1,2-dideoxy-2-{3-[(3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-2,4,6-trimethyl-5-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}heptanoyl)oxy]-1-hydroxy-2-methylbutyl}-4-methylpent-3 -ulose

  • Molecular FormulaC36H65NO12
  • Average mass703.901 Da
  • Monoisotopic mass703.450684 Da
  • ChemSpider ID4425

More details:

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

3-Octulose, 1,2-anhydro-4,6,8-trideoxy-7-O-[3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-2,4,6-trimethyl-1-oxo-5-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy]heptyl]-4,6-dimethyl-2-C-methyl- [ACD/Index Name]
4,5-Anhydro-1,2-dideoxy-2-{3-[(3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-2,4,6-trimethyl-5-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}heptanoyl)oxy]-1-hydroxy-2-methylbutyl}-4-methylpent-3 -ulose [ACD/IUPAC Name]
4,5-Anhydro-1,2-didesoxy-2-{3-[(3-[(2,6-didesoxy-3-O-methylhexopyranosyl)oxy]-2,4,6-trimethyl-5-{[3,4,6-tridesoxy-3-(dimethylamino)hexopyranosyl]oxy}heptanoyl)oxy]-1-hydroxy-2-methylbutyl}-4-methylpen t-3-ulose [German] [ACD/IUPAC Name]
4,5-Anhydro-1,2-didésoxy-2-{3-[(3-[(2,6-didésoxy-3-O-méthylhexopyranosyl)oxy]-2,4,6-triméthyl-5-{[3,4,6-tridésoxy-3-(diméthylamino)hexopyranosyl]oxy}heptanoyl)oxy]-1-hydroxy-2-méthylbutyl}-4-méthylpen t-3-ulose [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 767.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 418.0±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 183.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.93
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 8.37
ACD/KOC (pH 7.4): 98.17
Polar Surface Area: 166 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 603.2±5.0 cm3

Click to predict properties on the Chemicalize site


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