ChemSpider 2D Image | (11E,13E)-15-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2 -oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate | C48H79NO18

(11E,13E)-15-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2 -oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate

  • Molecular FormulaC48H79NO18
  • Average mass958.137 Da
  • Monoisotopic mass957.529724 Da
  • ChemSpider ID4932047

  • Double-bond stereo - Double-bond stereo

More details:

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

(11E,13E)-15-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2 -oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate [ACD/IUPAC Name]
(11E,13E)-15-{[(6-Desoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-6-{[3,6-didesoxy-4-O-(2,6-didesoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7 -(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (11E,13E)-15-{[(6-désoxy-2,3-di-O-méthylhexopyranosyl)oxy]méthyl}-6-{[3,6-didésoxy-4-O-(2,6-didésoxy-3-C-méthylhexopyranosyl)-3-(diméthylamino)hexopyranosyl]oxy}-16-éthyl-5,9,13-triméthyl-2 ,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-4-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 4-(acetyloxy)-15-[[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranos yl]oxy]-16-ethyl-5,9,13-trimethyl-2,10-dioxo-, (11E,13E)- [ACD/Index Name]
3-Acetyl tylosin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 982.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.3±6.0 kJ/mol
Flash Point: 547.9±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 243.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 12.55
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 41.75
ACD/KOC (pH 7.4): 426.34
Polar Surface Area: 245 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 772.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement