chempirical

Leucomycin

C35H59NO13CAS 1392-21-8701.85 g/mol

Open in Covalent MOL file
OOOHOOOOOHOHONOHOHO
AcetalAlcoholAldehydeAlkeneEsterEtherLactoneTertiary amine

Properties

Molecular formula
C35H59NO13
Molar mass
701.85 g/mol
Exact mass
701.3986 Da
Melting point
128–145 °C
logP
0.85Crippen estimate
Polar surface area
193.9 Ų
H-bond donors / acceptors
5 / 14
Rotatable bonds
8
Stereocentres
R, R, R, R, S, S, R, S, R, R, S, R, S, R, S, Sin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
1392-21-8
SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O
InChIKey
XYJOGTQLTFNMQG-KJHBSLKPSA-N
InChI
InChI=1S/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3/b10-9+,13-11+/t19-,20-,21-,22+,23+,24+,25-,27+,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Kitasamycin
  • Stereomycine
  • C 637
  • Ayermicina
  • Syneptine
  • Sineptina
  • Leucomycin V

Work with Leucomycin

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

Midecamycin A135457-80-877 % similar Josamycin16846-24-574 % similar Spiramycin ii24916-51-673 % similar Tylosin1401-69-055 % similar Tylosin phosphate1405-53-452 % similar Tylosin tartrate74610-55-252 % similar Tilmicosin108050-54-032 % similar Tilmicosin phosphate137330-13-330 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook