chempirical

Azithromycin B

C38H72N2O11CAS 307974-61-4733.00 g/mol

Open in Covalent MOL file
NOOOOHOOOONOHOHOH
AcetalAlcoholEsterEtherLactoneTertiary amine

Properties

Molecular formula
C38H72N2O11
Molar mass
733.00 g/mol
Exact mass
732.5136 Da
logP
2.79Crippen estimate
Polar surface area
159.8 Ų
H-bond donors / acceptors
4 / 13
Rotatable bonds
7
Stereocentres
R, R, S, R, R, R, R, S, S, R, R, R, S, S, S, R, S, Rin SMILES atom 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
307974-61-4
SMILES
CC[C@@H]1[C@@H]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)C
InChIKey
JBYIGHZCRVMHAK-VINPOOLWSA-N
InChI
InChI=1S/C38H72N2O11/c1-15-28-22(4)30(41)25(7)40(13)19-20(2)17-37(9,45)34(51-36-31(42)27(39(11)12)16-21(3)47-36)23(5)32(24(6)35(44)49-28)50-29-18-38(10,46-14)33(43)26(8)48-29/h20-34,36,41-43,45H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Azithromycin impurity B

Work with Azithromycin B

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

Azithromycin83905-01-583 % similar Azithromycin dihydrate117772-70-081 % similar Azithromycin F612069-26-872 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-971 % similar Erythromycin114-07-868 % similar Erythromycin A 11,12-carbonate55224-05-066 % similar Erythromycin A oxime13127-18-965 % similar Gamithromycin145435-72-965 % similar

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

Elsewhere

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