Identität

Adenosine 5'-Diphosphate

CAS 58-64-0 · C10H15N5O10P2

01Identität

Lazychem IDLC-05060
CAS RN58-64-0
PubChem CID6022
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

02Struktur und Stereochemie

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
Ring count3
Secondary amines0
Tertiary amines0
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
InChINicht angegeben

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.

04Status in Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namen und Beziehungen

API und Ausgangsarzneistoff

Adenosine

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • 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

Verunreinigungen und verwandte Verbindungen

06Quellen