2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl 2-aminoacetate;hydrochloride
Basic information
- CAS
84499-61-6- Standard SMILES
Cl.NCC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21- InChIKey
JMPZQOIHXCOBTB-UHFFFAOYSA-N- Molecular formula
- C10H15ClN6O4
- Average molar mass
- 318.72 g/mol
- Monoisotopic mass
- 318.0843307
Names & identifiers
- Preferred name
- 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl 2-aminoacetate;hydrochloride
- IUPAC
- 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl 2-aminoacetate;hydrochloride
Names & synonyms
CHEMBL553353SCHEMBL10502091
Database identifiers
- CAS
84499-61-6- PubChem CID
- 136179554
- ChEMBL
CHEMBL553353
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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