chempirical

Tylosin phosphate

C46H80NO21PCAS 1405-53-41014.11 g/mol

Open in Covalent MOL file
OOHOOOOHOHOONOHOOOOOHOOOPOHHOOH
AcetalAlcoholAldehydeAlkeneEsterEtherKetoneLactonePhosphateTertiary amine

Properties

Molecular formula
C46H80NO21P
Molar mass
1014.11 g/mol
Exact mass
1013.4960 Da
logP
0.90Crippen estimate
Polar surface area
316.4 Ų
H-bond donors / acceptors
8 / 19
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
1405-53-4
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.O=P(O)(O)O
InChIKey
NBOODGNJLRRJNA-IAGPQMRQSA-N
InChI
InChI=1S/C46H77NO17.H3O4P/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;1-5(2,3)4/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;(H3,1,2,3,4)/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

12 names
  • Tylosin, phosphate (1:?)
  • Tylosin, phosphate (salt)
  • Oxacyclohexadecane, tylosin deriv.
  • Tylan 10 premix
  • Tylan 40 premix
  • Pharmasine TB
  • Tylan 100
  • Tylan
  • Tylan 10 plus
  • Hog grow-R-mix 4000
  • Hog grow-R-mix 800
  • Webel tylan premix

Work with Tylosin phosphate

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

Tylosin1401-69-094 % similar Tylosin tartrate74610-55-288 % similar Tilmicosin phosphate137330-13-369 % similar Tilmicosin108050-54-064 % similar Leucomycin1392-21-852 % similar Midecamycin A135457-80-846 % similar Spiramycin ii24916-51-645 % similar Josamycin16846-24-542 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook