Identitate

Validamine

Nu este indicat · C7H15NO4

01Identitate

Lazychem IDLC-107456
CAS RNNu este indicat
PubChem CID446685
Molecular formulaC7H15NO4
Molecular weight177.20 g/mol
IUPAC name(1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
InChIKeyGSQYAWMREAXBHF-UOYQFSTFSA-N

02Structură și stereochimie

2D structurePubChem CID 446685
Two-dimensional chemical structure of Validamine
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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO
InChINu este indicat

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.

04Statut în India

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

05Denumiri și relații

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