chempirical

Leucomycin tartrate

C40H67NO18CAS 37280-56-1849.97 g/mol

Open in Covalent MOL file
OOOHOOOOOHONOHOHOOOHOHOHOOH
AcetalAlcoholAldehydeAlkeneCarboxylic acidEsterEtherLactoneTertiary amine

Properties

Molecular formula
C40H67NO18
Molar mass
849.97 g/mol
Exact mass
849.4358 Da
Melting point
125 °C
logP
0.00Crippen estimate
Polar surface area
288.7 Ų
H-bond donors / acceptors
8 / 17
Rotatable bonds
11
Stereocentres
R, R, R, R, S, S, R, S, R, R, S, R, R, S, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
37280-56-1
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]3CC([C@@H]([C@H](O3)C)O)(C)C)N(C)C)O)CC=O)C)O.C(C(C(=O)O)O)(C(=O)O)O
InChIKey
LCDBILLRZFJKMN-RKYMYSRXSA-N
InChI
InChI=1S/C36H61NO12.C4H6O6/c1-20-17-24(15-16-38)32(33(44-9)26(40)18-27(41)45-21(2)13-11-10-12-14-25(20)39)49-35-30(42)29(37(7)8)31(22(3)47-35)48-28-19-36(5,6)34(43)23(4)46-28;5-1(3(7)8)2(6)4(9)10/h10-12,14,16,20-26,28-35,39-40,42-43H,13,15,17-19H2,1-9H3;1-2,5-6H,(H,7,8)(H,9,10)/b11-10+,14-12+;/t20-,21-,22-,23-,24+,25+,26-,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

5 names
  • Leucomycin, (2R,3R)-2,3-dihydroxybutanedioate (1:?)
  • Leucomycin, [R-(R*,R*)]-2,3-dihydroxybutanedioate (salt)
  • Leucomycin, (2R,3R)-2,3-dihydroxybutanedioate (salt)
  • Kitasamycin tartrate
  • Trubin

Work with Leucomycin 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid, defined stereoisomer D-Tartaric acid147-71-7Free acid, defined stereoisomer DL-Tartaric acid133-37-9Free acid, defined stereoisomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid Potassium bitartrate868-14-4Salt, defined stereoisomer Sodium tartrate868-18-8Salt, defined stereoisomer Potassium sodium tartrate304-59-6Salt, defined stereoisomer Choline bitartrate87-67-2Salt, defined stereoisomer N,N-Dimethylethanolamine bitartrate5988-51-2Salt, defined stereoisomer Potassium tartrate921-53-9Salt, defined stereoisomer (-)-Epinephrine (+)-bitartrate51-42-3Salt, defined stereoisomer Monosodium tartrate526-94-3Salt, defined stereoisomer

Similar compounds

Leucomycin1392-21-882 % similar Midecamycin A135457-80-867 % similar Spiramycin adipate68880-55-766 % similar Josamycin16846-24-566 % similar Spiramycin II24916-51-661 % similar Tylosin1401-69-046 % similar Tylosin phosphate1405-53-444 % similar Tilmicosin108050-54-030 % similar

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

Elsewhere

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