Identité

Danshensu

Non indiqué · C9H10O5

01Identité

Lazychem IDLC-76931
CAS RNNon indiqué
PubChem CID11600642
Molecular formulaC9H10O5
Molecular weight198.17 g/mol
IUPAC name(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
InChIKeyPAFLSMZLRSPALU-MRVPVSSYSA-N

02Structure et stéréochimie

2D structurePubChem CID 11600642
Two-dimensional chemical structure of Danshensu
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1=CC(=C(C=C1C[C@H](C(=O)O)O)O)O
InChINon indiqué

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

2 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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources