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

N6--Benzoyl-2'-deoxyadenosine hydrate (CAS 305808-19-9) is a chemical compound registered under number CAS 305808-19-9, with the molecular formula C₁₇H₁₇N₅O₄, and a molar mass of 355.3 g/mol.

The molecule contains 43 atoms connected by 46 chemical bonds. The full systematic IUPAC name of this compound is N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.2 (positive value, a lipophilic compound), polar surface area PSA = 122 Ų, 3 donors and 7 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Wzór sumaryczny	C17H17N5O4
Masa molowa	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
logP (XLogP3)	0.2
PSA	122 Ų
HBD / HBA	3 / 7
PubChem CID	CID 107558 ↗

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 · C17H17N5O4 · MFCD00009628 · N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide

• 📊 PubChem CID 107558 — NIH
• 🔬 NIST WebBook — spektroskopia
• 💊 ChEMBL — bioaktywność

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