Identita

C31H27N3O8

CAS 863329-62-8 · C31H27N3O8

01Identita

Lazychem IDLC-28274
CAS RN863329-62-8
PubChem CID11478631
Molecular formulaC31H27N3O8
Molecular weight569.58 g/mol
IUPAC name(2R,3R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-hydroxy-4-methyltetrahydrofuran-3-yl benzoate
InChIKeyHDORPKUMVBVUIY-VDFUNGNBSA-N

02Struktura a stereochemie

2D structurePubChem CID 11478631
Two-dimensional chemical structure of C31H27N3O8, CAS 863329-62-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count5
Secondary amines0
Tertiary amines0
SMILESC[C@@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O
InChINeuvedeno

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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Sofosbuvir

Nečistoty a související sloučeniny

Názvy a vztahy

  • Sofosbuvir Impurity 2
  • (2R,3R,4S,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-hydroxy-4-methyltetrahydrofuran-3-yl benzoate
  • 863329-62-8
  • Benzamide, N-[1-(3,5-di-O-benzoyl-2-C-methyl-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]-
  • [(2R,3R,4S,5R)-5-(4-Benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-hydroxy-4-methyloxolan-2-yl]methyl benzoate
  • C31H27N3O8
  • CJP3QD2DRW
  • SCHEMBL2969735
  • CS-M2327
  • MFCD26961020
  • AKOS027255138
  • CS-14713

Nečistoty a související sloučeniny

06Zdroje