Идентичност

Mupirocin methyl ester

Не е посочено · C27H46O9

01Идентичност

Lazychem ID	LC-45066
CAS RN	Не е посочено
PubChem CID	12875115
Molecular formula	C27H46O9
Molecular weight	514.6 g/mol
IUPAC name	methyl 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate
InChIKey	CJKAHSOGVKAYJX-KPPUQUFASA-N

02Структура и стереохимия

Two-dimensional chemical structure of Mupirocin methyl ester — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)OC)/C)[C@H](C)O
InChI	Не е посочено

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

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.