chempirical

Tylosin

C46H77NO17CAS 1401-69-0916.11 g/mol

Open in Covalent MOL file
OOHOOOOHOHOONOHOOOOOHOO
AcetalAlcoholAldehydeAlkeneEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C46H77NO17
Molar mass
916.11 g/mol
Exact mass
915.5192 Da
Melting point
128–132 °C
logP
1.83Crippen estimate
Polar surface area
238.7 Ų
H-bond donors / acceptors
5 / 18
Rotatable bonds
13
Stereocentres
R, R, S, S, R, R, S, S, R, S, S, R, R, R, R, R, R, R, R, R, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
1401-69-0
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]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)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
WBPYTXDJUQJLPQ-VMXQISHHSA-N
InChI
InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,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

8 names
  • Oxacyclohexadecane, tylosin deriv.
  • Tylosin A
  • Tylosine
  • Tylocine
  • [4R-(4R*,5S*,6S*,7R*,9R*,11E,13E,15R*,16R*)]-15-[[(6-Deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-diene-7-acetaldehyde
  • Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-, [4R-(4R*,5S*,6S*,7R*,9R*,11E,13E,15R*,16R*)]-
  • Fradizine
  • Vubityl 200

Work with Tylosin

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

Tylosin phosphate1405-53-494 % similar Tylosin tartrate74610-55-294 % similar Tilmicosin108050-54-068 % similar Tilmicosin phosphate137330-13-364 % similar Leucomycin1392-21-855 % similar Midecamycin A135457-80-848 % similar Spiramycin ii24916-51-648 % similar Josamycin16846-24-544 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook