ChemSpider 2D Image | Tilmicosin | C46H80N2O13

Tilmicosin

  • Molecular FormulaC46H80N2O13
  • Average mass869.133 Da
  • Monoisotopic mass868.566040 Da
  • ChemSpider ID4445656
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres


More details:






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

[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-3-(dimethylamino)-b-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-b-D-allopyranoside
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacycloh exadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-Didesoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxooxacyclo hexadeca-4,6-dien-3-yl]methyl-6-desoxy-2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
108050-54-0 [RN]
20-Deoxo-20-(3,5-dimethyl-1-piperidinyl)desmycosin
20-Deoxo-20-(3,5-dimethylpiperidin-1-yl)desmycosin
4A-O-De(2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)tylosin
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-didésoxy-3-(diméthylamino)-β-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-diméthyl-1-pipéridinyl]éthyl}-2-ét hyl-14-hydroxy-5,9,13-triméthyl-8,16-dioxooxacyclohexadéca-4,6-dién-3-yl]méthyle [French] [ACD/IUPAC Name]
oxacyclohexadeca-11,13-diene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-3-(dimethylamino)-b-D-glucopyranosyl]oxy]-7-[2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]ethyl]-16-ethyl-4-hydroxy-5,9,13-trimethyl-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-
More...

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

EL 870 [DBID]
LY 177370 [DBID]
CCRIS 937 [DBID]
D02492 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A macrolide antibiotic with formula C46H80N2O13. It is used for the treatment of respiratory disease in cattle at high risk of developing bovine respiratory disease associated with Mannheimia haemolyt ica. ChEBI CHEBI:195409
    • Bio Activity:

      Antibacterial MedChem Express HY-B0905
      Anti-infection MedChem Express HY-B0905
      Anti-infection; MedChem Express HY-B0905
      Tilmicosin is a macrolide antibiotic, is used in veterinary medicine for the treatment of bovine respiratory disease and ovine respiratory disease associated with Mannheimia (Pasteurella) haemolytica. MedChem Express , HY-B0905

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

Density: 1.2±0.1 g/cm3
Boiling Point: 926.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.9±6.0 kJ/mol
Flash Point: 514.2±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 232.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 12.42
Polar Surface Area: 186 Å2
Polarizability: 92.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 734.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement