Chemical identity

Adenosine 5'-Diphosphate

CAS 58-64-0 · C10H15N5O10P2

01Identity

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

Lazychem IDLC-05060
PubChem CID6022
NameAdenosine 5'-Diphosphate
CAS RN58-64-0
Molecular formulaC10H15N5O10P2
Molecular weight427.20 g/mol
IUPAC name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N

02Structure identifiers

2D structurePubChem CID 6022
Two-dimensional chemical structure of Adenosine 5'-Diphosphate, CAS 58-64-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
InChINot listed
Formula from structureC10H15N5O10P2
Molecular weight from structure427.20 g/mol

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 / RCSNO EXACT MATCH FOUNDCAS 58-64-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 58-64-0 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

Adenosine

View API and impurity family

Other names

  • Adenosine diphosphate
  • Adenosine 5'-(trihydrogen diphosphate)
  • adenosine pyrophosphate
  • Adenosindiphosphorsaeure
  • Adenosine 5'-pyrophosphoric acid
  • 9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-b-D-glycero-pentofuranosyl}-9H-purin-6-amine 9H-Purin-6-amine
  • 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-.beta.-D-ribofuranosyl]- 9H-purin-6-amine
  • 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-glycero-pentofuranosyl]-
  • 5'-Adp
  • Adenosine 5'-diphosphate
  • 58-64-0
  • adenosine 5'-pyrophosphate

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