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

**CAS:** 305808-19-9  
**PubChem CID:** [107558](https://pubchem.ncbi.nlm.nih.gov/compound/107558)  
**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`  
**InChIKey:** `PIXHJAPVPCVZSV-YNEHKIRRSA-N`  
**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`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| logP (XLogP3) | 0.2 |
| PSA | 122 Ų |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 4 |
| Heavy atoms | 26 |

## 3D structure

The molecule contains 43 atoms connected by 46 chemical bonds. Interactive 3D model 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

## Available in the shop

[N6--Benzoyl-2'-deoxyadenosine hydrate (CAS 305808-19-9) — Beijing Tong Guang](https://molgod.org/sds-cards/n6-benzoyl-2-deoxyadenosine-hydrate-cas-305808-19-9-beijing-tong-guang/)

## 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 · Generator: MOL-GOD v3.12.33*