chempirical

Tylosin tartrate

C50H83NO23CAS 74610-55-21066.20 g/mol

Open in Covalent MOL file
OOHOOOOHOHOONOHOOOOOHOOOHOOHOHOOH
AcetalAlcoholAldehydeAlkeneCarboxylic acidEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C50H83NO23
Molar mass
1066.20 g/mol
Exact mass
1065.5356 Da
Melting point
140–146 °C
logP
-0.29Crippen estimate
Polar surface area
353.7 Ų
H-bond donors / acceptors
9 / 22
Rotatable bonds
16
Stereocentres
R, R, S, S, R, R, S, S, R, S, S, R, R, R, R, R, R, R, R, R, R, R, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
74610-55-2
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=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
ICVKYYINQHWDLM-KBEWXLTPSA-N
InChI
InChI=1S/C46H77NO17.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/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-;1-,2-/m11/s1

Weigh it out

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

Names and synonyms

7 names
  • Tylosin, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • Tylosin, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
  • Tylosin, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
  • Oxacyclohexadecane, tylosin deriv.
  • Pharmasin
  • Tylan injectable
  • Tylan soluble

Work with Tylosin tartrate

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 phosphate1405-53-488 % similar Tilmicosin108050-54-064 % similar Tilmicosin phosphate137330-13-360 % similar Leucomycin1392-21-852 % similar Midecamycin A135457-80-846 % similar Spiramycin ii24916-51-645 % similar Josamycin16846-24-543 % similar

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

Elsewhere

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