Identiteit

Pantetheine

Niet vermeld · C11H22N2O4S

01Identiteit

Lazychem IDLC-107795
CAS RNNiet vermeld
PubChem CID439322
Molecular formulaC11H22N2O4S
Molecular weight278.37 g/mol
IUPAC name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide
InChIKeyZNXZGRMVNNHPCA-VIFPVBQESA-N

02Structuur en stereochemie

2D structurePubChem CID 439322
Two-dimensional chemical structure of Pantetheine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count0
Secondary amines0
Tertiary amines0
SMILESCC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O
InChINiet vermeld

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status in India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namen en relaties

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      06Bronnen