化学标识

2'-Deoxy-4'-C-ethynyl-2-fluoroadenosine

未列出 · C12H12FN5O3

01化学标识

Lazychem IDLC-83976
CAS RN未列出
PubChem CID6483431
Molecular formulaC12H12FN5O3
Molecular weight293.25 g/mol
IUPAC name(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
InChIKeyIKKXOSBHLYMWAE-QRPMWFLTSA-N

02结构与立体化学

2D structurePubChem CID 6483431
Two-dimensional chemical structure of 2'-Deoxy-4'-C-ethynyl-2-fluoroadenosine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO
InChI未列出

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

04印度监管状态

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

05名称与关联

原料药与母体药物

未列出

名称与关联

    杂质与相关化合物

      06来源