chempirical

Azithromycin F

C38H72N2O13CAS 612069-26-8765.00 g/mol

Open in Covalent MOL file
OOOHOOOHOOONHOOHNHOHO
AcetalAlcoholEsterEtherLactoneTertiary amine

Properties

Molecular formula
C38H72N2O13
Molar mass
765.00 g/mol
Exact mass
764.5034 Da
logP
0.87Crippen estimate
Polar surface area
200.3 Ų
H-bond donors / acceptors
6 / 15
Rotatable bonds
8
Stereocentres
R, R, S, R, R, S, S, S, R, S, R, S, R, R, R, R, R, Sin 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
612069-26-8
SMILES
CC[C@H]1OC(=O)[C@H](CO)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
FOKFKPIVUOKMAB-KRYDKTARSA-N
InChI
InChI=1S/C38H72N2O13/c1-14-27-38(9,47)31(43)23(5)40(12)18-20(2)16-36(7,46)33(53-35-29(42)26(39(10)11)15-21(3)49-35)22(4)30(25(19-41)34(45)51-27)52-28-17-37(8,48-13)32(44)24(6)50-28/h20-33,35,41-44,46-47H,14-19H2,1-13H3/t20-,21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

Weigh it out

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

Names and synonyms

2 names
  • 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-
  • (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one

Work with Azithromycin F

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

Azithromycin83905-01-587 % similar Azithromycin dihydrate117772-70-084 % similar 2-Desethyl-2-propylazithromycin763924-54-579 % similar Azithromycin B307974-61-472 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-971 % similar Erythromycin114-07-868 % similar Erythromycin A oxime13127-18-966 % similar Gamithromycin145435-72-965 % similar

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

Elsewhere

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