Identiteet

Tulathromycin Impurity 22

Pole loetletud · C41H79N3O12

01Identiteet

Lazychem ID	LC-47899
CAS RN	Pole loetletud
PubChem CID	9920300
Molecular formula	C41H79N3O12
Molecular weight	806.1 g/mol
IUPAC name	(3R,6R,8R,9R,10S,11S,12R)-2-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-11-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,6,8,10,12-pentamethyl-1-oxa-4-azacyclotridecan-13-one
InChIKey	JEBMHQVCOAWRCT-UXLZELGBSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Tulathromycin Impurity 22 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 17 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	17
Ring count	3
Secondary amines	2
Tertiary amines	1

SMILES	CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H](C(OC(=O)[C@@H]2C)[C@@](C)([C@@H](CC)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O
InChI	Pole loetletud

03Stereochemistry

The published structure contains 17 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres17Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 262,144Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.