Identidade

Methyl threoninate

Não indicado · C5H11NO3

01Identidade

Lazychem IDLC-49902
CAS RNNão indicado
PubChem CID2734894
Molecular formulaC5H11NO3
Molecular weight133.15 g/mol
IUPAC namemethyl (2S,3R)-2-amino-3-hydroxybutanoate
InChIKeyTVHCXXXXQNWQLP-DMTCNVIQSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 2734894
Two-dimensional chemical structure of Methyl threoninate
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count0
Secondary amines0
Tertiary amines0
SMILESC[C@H]([C@@H](C(=O)OC)N)O
InChINão indicado

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

5 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.

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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes