Identità

Atrinositol

Mhux elenkat · C6H15O15P3

01Identità

Lazychem IDLC-53368
CAS RNMhux elenkat
PubChem CID65762
Molecular formulaC6H15O15P3
Molecular weight420.10 g/mol
IUPAC name[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
InChIKeyGKDKOMAJZATYAY-GCVPSNMTSA-N

02Struttura u stereokimika

2D structurePubChem CID 65762
Two-dimensional chemical structure of Atrinositol
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count1
Secondary amines0
Tertiary amines0
SMILES[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChIMhux elenkat

03Stereochemistry

The published structure contains 4 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 fl-Indja

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

05Ismijiet u relazzjonijiet

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Mhux elenkat

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