ChemSpider 2D Image | (4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranoside | C46H77NO17

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

  • Molecular FormulaC46H77NO17
  • Average mass916.100 Da
  • Monoisotopic mass915.519165 Da
  • ChemSpider ID4932137

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 21 defined stereocentres

More details:

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

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-Deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2 ,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranoside [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-deoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranoside
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-Desoxy-2,3-di-O-methylhexopyranosyl)oxy]methyl}-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl-3,6-didesoxy-4-O- (2,6-didesoxy-3-C-methylhexopyranosyl)-3-(dimethylamino)hexopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-4-O-(2,6-didésoxy-3-C-méthylhexopyranosyl)-3-(diméthylamino)hexopyranoside de (4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-désoxy-2,3-di-O-méthylhexopyranosyl)oxy]méthyl}-16-éthyl-4-hydroxy-5 ,9,13-triméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 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-eth yl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)- [ACD/Index Name]
oxacyclohexadeca-11,13-diene-7-acetaldehyde, 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-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-
2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Tylosin [USP] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 980.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.0±6.0 kJ/mol
Flash Point: 546.9±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 233.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.27
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 111.78
Polar Surface Area: 239 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 735.3±5.0 cm3

Click to predict properties on the Chemicalize site


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