2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-aminopropanoate
Basic information
- CAS
84499-65-0- Standard SMILES
NCCC(=O)OCCOCN1C=NC2C(=O)NC(N)=NC21- InChIKey
QSDQEAHAWHXHKB-UHFFFAOYSA-N- Molecular formula
- C11H18N6O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.13895308
Names & identifiers
- Preferred name
- 2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-aminopropanoate
- IUPAC
- 2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-aminopropanoate
Names & synonyms
84499-65-02-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethyl b-alaninate2-[(2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy]ethyl b-alaninate2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 3-aminopropanoateDTXSID1010047712-[(6-Hydroxy-2-imino-2,3,4,5-tetrahydro-9H-purin-9-yl)methoxy]ethyl beta-alaninate
Database identifiers
- CAS
84499-65-0- PubChem CID
- 512013
- DTXSID
DTXSID101004771
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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