CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
CAS: 83905-01-5
Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
SMILES: CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O

Molecular Processing

Molecular formula
C38H72N2O12
Molecular weight
749
Exact mass
748.5085
XLogP
1.9
TPSA
180.08
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
52
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
18
Undefined stereo
18
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.974
Molar refractivity
194.18

Supplementary Information

InChIKey: MQTOSJVFKKJCRP-BICOPXKESA-N
Synonyms
azithromycinZithromax83905-01-5HemomycinAzithromycineAzasiteAzithromycinumZitromaxAzenilaziromycinAzitrocinAzitromicinaAruzilinaAzithrocinazithromycin anhydrousMacrozitTrozocinaXithroneZithromacZythromaxAziwinDuraSiteCP 62993Anhydrous azithromycinAzyterDTXSID8030760J2KLZ20U1MXZ-450XZ 405XZ 450
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Involved in 22 reactions→

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