Chemical identity

Ascorbic Acid 3-Sulfate

CAS 22430-27-9 · C6H8O9S

01Identity

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

Lazychem IDLC-06835
PubChem CID11425365
NameAscorbic Acid 3-Sulfate
CAS RN22430-27-9
Molecular formulaC6H8O9S
Molecular weight256.18 g/mol
IUPAC name(R)-2-((S)-1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl hydrogen sulfate
InChIKeyFBFZPSQPKNIVMT-ZAFYKAAXSA-N

02Structure identifiers

2D structurePubChem CID 11425365
2D structure: Ascorbic Acid 3-Sulfate, CAS 22430-27-9
Structure of Ascorbic Acid 3-Sulfate (CAS 22430-27-9). LazyChem record. Source identity: PubChem CID 11425365. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC6H8O9S
InChIKeyFBFZPSQPKNIVMT-ZAFYKAAXSA-N
Ring count1
Defined stereocentres2
Unassigned stereocentres0
SMILESC([C@@H]([C@@H]1C(=C(C(=O)O1)O)OS(=O)(=O)O)O)O
InChIInChI=1S/C6H8O9S/c7-1-2(8)4-5(15-16(11,12)13)3(9)6(10)14-4/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4+/m0/s1

03Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

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 22430-27-9 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 22430-27-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ascorbic Acid

View API and impurity family

Other names

  • L-Ascorbic acid, 3-(hydrogen sulfate)
  • Ascorbic acid 3-sulfate
  • (R)-2-((S)-1,2-Dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl hydrogen sulfate
  • [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] hydrogen sulfate
  • CHEBI:176456
  • (2R)-2-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl hydrogen sulfate

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