Chemical identity

Propan-2-yl (2S)-2-[[(2, 3, 4, 5, 6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate

CAS 1337529-56-2 · C18H17F5NO5P

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-28279
PubChem CID58463520
NamePropan-2-yl (2S)-2-[[(2, 3, 4, 5, 6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CAS RN1337529-56-2
Molecular formulaC18H17F5NO5P
Molecular weight453.30 g/mol
IUPAC name(S)-isopropyl 2-(((R)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate
InChIKeyMIILDBHEJQLACD-PAUNIHGJSA-N

02Structure identifiers

2D structurePubChem CID 58463520
Two-dimensional chemical structure of Propan-2-yl (2S)-2-[[(2, 3, 4, 5, 6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate, CAS 1337529-56-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](C(=O)OC(C)C)N[P@@](=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F
InChINot listed
Formula from structureC18H17F5NO5P
Molecular weight from structure453.30 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

6 records

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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1337529-56-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1337529-56-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Sofosbuvir

View API and impurity family

Other names

  • Sofosbuvir Impurity 45
  • Propan-2-yl (2S)-2-[[(2, 3, 4, 5, 6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources