ChemSpider 2D Image | (3E,11E,13Z)-15-{[(6-Deoxy-2-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-5,7,9-trimethyl-2,10-dioxooxacyclohexadeca-3,11,13-trien-6-yl 3,4,6-trideoxy-3-(dimethylamino)hexopyranoside | C36H59NO11

(3E,11E,13Z)-15-{[(6-Deoxy-2-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-5,7,9-trimethyl-2,10-dioxooxacyclohexadeca-3,11,13-trien-6-yl 3,4,6-trideoxy-3-(dimethylamino)hexopyranoside

  • Molecular FormulaC36H59NO11
  • Average mass681.854 Da
  • Monoisotopic mass681.408813 Da
  • ChemSpider ID21251437

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,11E,13Z)-15-{[(6-Deoxy-2-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-5,7,9-trimethyl-2,10-dioxooxacyclohexadeca-3,11,13-trien-6-yl 3,4,6-trideoxy-3-(dimethylamino)hexopyranoside [ACD/IUPAC Name]
(3E,11E,13Z)-15-{[(6-Desoxy-2-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-5,7,9-trimethyl-2,10-dioxooxacyclohexadeca-3,11,13-trien-6-yl-3,4,6-tridesoxy-3-(dimethylamino)hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)hexopyranoside de (3E,11E,13Z)-15-{[(6-désoxy-2-O-méthylhexopyranosyl)oxy]méthyl}-16-éthyl-5,7,9-triméthyl-2,10-dioxooxacyclohexadéca-3,11,13-trién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-2-O-methylhexopyranosyl)oxy]methyl]-16-ethyl-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy]-, (3E,11E,13Z)- [ACD/Index 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: 809.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 134.0±6.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.85
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 39.33
ACD/KOC (pH 7.4): 297.94
Polar Surface Area: 153 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 575.6±5.0 cm3

Click to predict properties on the Chemicalize site


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