Chemical identity

D-Tagatose

CAS 87-81-0 · C6H12O6

01Identity

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

Lazychem IDLC-11746
PubChem CID439312
NameD-Tagatose
CAS RN87-81-0
Molecular formulaC6H12O6
Molecular weight180.16 g/mol
IUPAC name(3S,4S,5R)-2-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
InChIKeyLKDRXBCSQODPBY-OEXCPVAWSA-N

02Structure identifiers

2D structurePubChem CID 439312
Two-dimensional chemical structure of D-Tagatose, CAS 87-81-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O
InChINot listed
Formula from structureC6H12O6
Molecular weight from structure180.16 g/mol

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

3 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 87-81-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 87-81-0 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

Lactulose

View API and impurity family

Other names

  • D-tagatopyranose
  • lyxo-Hexulose
  • tagatopyranose
  • Tagatopyranoside
  • D-Tagatopyranoside
  • D-Lyxo-Hex-2-ulo-Pyranose
  • CHEBI:4249
  • D-Tag
  • D-lyxo-hex-2-ulose
  • DTXSID3047897
  • SNFG:Tag
  • tagatose, (D)-

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