Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-
Basic information
- CAS
56209-72-4- Standard SMILES
CC(=O)NC1C(CO)OC(n2cnc3c(N)nc(Cl)nc32)C1O- InChIKey
NXXXRHZZMWRVAE-UHFFFAOYSA-N- Molecular formula
- C12H15ClN6O4
- Average molar mass
- 342.74 g/mol
- Monoisotopic mass
- 342.0843307
Names & identifiers
- Preferred name
- Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-
- IUPAC
- N-[5-(6-amino-2-chloropurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide
Names & synonyms
Adenosine, 3'-(acetylamino)-2-chloro-3'-deoxy-56209-72-4NSC241520DTXSID10971611NSC173958NSC-173958NSC-2415202-Chloro-9-{3-deoxy-3-[(1-hydroxyethylidene)amino]pentofuranosyl}-9H-purin-6-amine57004-05-4
Database identifiers
- CAS
56209-72-4、57004-05-4- PubChem CID
- 299952
- DTXSID
DTXSID10971611
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…