Chemical identity

1-[(2R)-2-Deoxy-2-fluoro-2-methyl-a-D-erythro-pentofuranosyl]-2, 4(1H, 3H)-pyrimidinedione

CAS 2041584-99-8 · C10H13FN2O5

01Identity

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

Lazychem IDLC-28277
PubChem CID78358468
Name1-[(2R)-2-Deoxy-2-fluoro-2-methyl-a-D-erythro-pentofuranosyl]-2, 4(1H, 3H)-pyrimidinedione
CAS RN2041584-99-8
Molecular formulaC10H13FN2O5
Molecular weight260.22 g/mol
IUPAC name1-((2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
InChIKeyARKKGZQTGXJVKW-PJGXCUNHSA-N

02Structure identifiers

2D structurePubChem CID 78358468
2D structure: 1-[(2R)-2-Deoxy-2-fluoro-2-methyl-a-D-erythro-pentofuranosyl]-2, 4(1H, 3H)-pyrimidinedione, CAS 2041584-99-8
Structure of 1-[(2R)-2-Deoxy-2-fluoro-2-methyl-a-D-erythro-pentofuranosyl]-2, 4(1H, 3H)-pyrimidinedione (CAS 2041584-99-8). LazyChem record. Source identity: PubChem CID 78358468. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC10H13FN2O5
InChIKeyARKKGZQTGXJVKW-PJGXCUNHSA-N
Ring count2
Defined stereocentres4
Unassigned stereocentres0
SMILESC[C@]1([C@@H]([C@H](O[C@@H]1N2C=CC(=O)NC2=O)CO)O)F
InChIInChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8+,10-/m1/s1

03Stereochemistry

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

Defined stereocentres42D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

4 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2041584-99-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2041584-99-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Sofosbuvir

View API and impurity family

Other names

  • Sofosbuvir Impurity 23

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