# N6--Benzoyl-2'-deoxyadenosine hydrate (CAS 305808-19-9)

CAS: 305808-19-9
PubChem CID: 107558
InChIKey: PIXHJAPVPCVZSV-YNEHKIRRSA-N
Molecular formula: C17H17N5O4
Molar mass: 355.3 g/mol
IUPAC: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI: InChI=1S/C17H17N5O4/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25)/t11-,12+,13+/m0/s1
logP (XLogP3): 0.2
PSA: 122 A^2
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 26
3D structure: 43 atoms, 46 bonds

## About the compound

N6--Benzoyl-2'-deoxyadenosine hydrate (CAS 305808-19-9) is a chemical compound registered under CAS number 305808-19-9. Molecular formula: C17H17N5O4. Molar mass: 355.3 g/mol. The full systematic IUPAC name is: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide. The molecule contains 43 atoms connected by 46 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molekula/305808-19-9/


## Synonyms

  - 4546-72-9
  - N-Benzoyl-2'-deoxyadenosine
  - N-Benzoyldeoxyadenosine
  - Adenosine, N-benzoyl-2'-deoxy-
  - EINECS 224-903-6
  - RefChem:162888
  - DTXCID20119007
  - 224-903-6
  - N6-Benzoyl-2'-deoxyadenosine
  - 305808-19-9
  - N-Benzoyl-2'-deoxy-adenosine
  - N-(9-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide

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## Data sources

  - PubChem CID 107558: https://pubchem.ncbi.nlm.nih.gov/compound/107558
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=305808-19-9
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=305808-19-9

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Last updated: 2026-09-02
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