Tunnistetiedot

Ectoine

Ei ilmoitettu · C6H10N2O2

01Tunnistetiedot

Lazychem IDLC-115241
CAS RNEi ilmoitettu
PubChem CID126041
Molecular formulaC6H10N2O2
Molecular weight142.16 g/mol
IUPAC name(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
InChIKeyWQXNXVUDBPYKBA-YFKPBYRVSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 126041
Two-dimensional chemical structure of Ectoine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres1
Ring count1
Secondary amines1
Tertiary amines0
SMILESCC1=NCC[C@H](N1)C(=O)O
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

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Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet