Identiteit

Metra

Niet vermeld · C16H23NO7

01Identiteit

Lazychem IDLC-52166
CAS RNNiet vermeld
PubChem CID120608
Molecular formulaC16H23NO7
Molecular weight341.36 g/mol
IUPAC name(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
InChIKeyVEPOHXYIFQMVHW-PVJVQHJQSA-N

02Structuur en stereochemie

2D structurePubChem CID 120608
Two-dimensional chemical structure of Metra
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count2
Secondary amines0
Tertiary amines1
SMILESC[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChINiet vermeld

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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