chempirical

Tilmicosin

C46H80N2O13CAS 108050-54-0869.15 g/mol

Open in Covalent MOL file
OOOHOOHONOHNOOOOHOO
AcetalAlcoholAlkeneEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C46H80N2O13
Molar mass
869.15 g/mol
Exact mass
868.5660 Da
logP
3.34Crippen estimate
Polar surface area
186.2 Ų
H-bond donors / acceptors
4 / 15
Rotatable bonds
12
Stereocentres
R, R, S, S, R, R, S, S, R, R, R, S, R, R, R, R, R, R, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
108050-54-0
SMILES
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChIKey
JTSDBFGMPLKDCD-XVFHVFLVSA-N
InChI
InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-20-deoxo-20-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-
  • Oxacyclohexadecane, tylosin deriv.
  • 4A-O-De(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-20-deoxo-20-[(3R,5S)-3,5-dimethyl-1-piperidinyl]tylosin
  • Antibiotic EL 870
  • LY 177370
  • EL 870
  • Micotil
  • Pulmotil
  • Micotil 300
  • Tylmicosine
  • Provitil
  • cis-Tilmicosin

Work with Tilmicosin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tilmicosin phosphate137330-13-393 % similar Tylosin1401-69-068 % similar Tylosin phosphate1405-53-464 % similar Tylosin tartrate74610-55-264 % similar Leucomycin1392-21-832 % similar Midecamycin A135457-80-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook