Identità

2-Thioadenosine

CAS 43157-50-2 · C10H13N5O4S

01Identità

Lazychem IDLC-02114
CAS RN43157-50-2
PubChem CID6451965
Molecular formulaC10H13N5O4S
Molecular weight299.31 g/mol
IUPAC name6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purine-2(9H)-thione
InChIKeyLTESOZAUMTUKQX-UUOKFMHZSA-N

02Struttura u stereokimika

2D structurePubChem CID 6451965
Two-dimensional chemical structure of 2-Thioadenosine, CAS 43157-50-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines0
SMILESC1=NC2=C(NC(=S)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChIMhux elenkat

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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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Ismijiet u relazzjonijiet

  • 2-Thioadenosine
  • 43157-50-2
  • DTXSID70195735
  • RefChem:89453
  • DTXCID10118226
  • 2-Mercaptoadenosine
  • 6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-2H-purine-2-thione
  • Adenosine, 1,2-dihydro-2-thioxo-
  • MFCD00171540
  • CHEMBL4761218
  • 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-2-thione
  • (2R,3R,4S,5R)-2-(6-amino-2-sulfanyl-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

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06Sorsi