Identidade

2'-Alkene Sofosbuvir

CAS 2095551-20-3 · C22H28N3O9P

01Identidade

Lazychem IDLC-02274
CAS RN2095551-20-3
PubChem CID132493320
Molecular formulaC22H28N3O9P
Molecular weight509.45 g/mol
IUPAC nameisopropyl ((S)-(((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-methylenetetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
InChIKeySLQAQPOMVKZSBV-KJZQRQDESA-N

02Estrutura e estereoquímica

2D structurePubChem CID 132493320
Two-dimensional chemical structure of 2'-Alkene Sofosbuvir, CAS 2095551-20-3
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
SMILESC[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C(=C)[C@@H](O1)N2C=CC(=O)NC2=O)O)OC3=CC=CC=C3
InChINão indicado

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Sofosbuvir

Impurezas e compostos relacionados

Nomes e relações

  • (2S)-isopropyl-2-(((((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-methylenetetrahydrofuran-2-yl)methoxy(phenoxy)phosphoryl)amino)propanoate
  • 2095551-20-3
  • (phenoxy)phosphoryl)amino)propanoate
  • CS-0164660
  • (2S)-isopropyl-2-(((((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-methylenetetrahydrofuran-2-yl)methoxy
  • (S)-isopropyl 2-(((S)-(((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-methylenetetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate? (sofosbuvir Impurity pound(c)
  • Isopropyl ((((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-methylenetetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate

Impurezas e compostos relacionados

06Fontes