Chemical identity

1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one

CAS 13491-41-3 · C9H13N3O6

01Identity

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

Lazychem IDLC-20510
PubChem CID353014
Name1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CAS RN13491-41-3
Molecular formulaC9H13N3O6
Molecular weight259.22 g/mol
IUPAC name1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(hydroxyamino)pyrimidin-2(1H)-one
InChIKeyXCUAIINAJCDIPM-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 353014
Two-dimensional chemical structure of 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one, CAS 13491-41-3
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres4
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC1=CN(C(=O)N=C1NO)C2C(C(C(O2)CO)O)O
InChINot listed
Formula from structureC9H13N3O6
Molecular weight from structure259.22 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

5 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 13491-41-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 13491-41-3 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

Molnupiravir

View API and impurity family

Other names

  • Molnupiravir Impurity 4
  • 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
  • 13491-41-3
  • EIDD-1931(NHC)
  • Molnupiravir Impurity 1
  • SCHEMBL6674536
  • SCHEMBL29268601
  • DTXSID70326527
  • NSC529856
  • 4-(Hydroxyamino)-1-pentofuranosylpyrimidin-2(1H)-one

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