Basic information
- CAS
84499-67-2- Standard SMILES
NC1=NC2C(N=CN2COCCOC(=O)CCC(=O)O)C(=O)N1- InChIKey
GFTOQVCQFJPLTE-UHFFFAOYSA-N- Molecular formula
- C12H17N5O6
- Average molar mass
- 327.29 g/mol
- Monoisotopic mass
- 327.11788328
Names & identifiers
- Preferred name
- 4-(2-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethoxy)-4-oxobutanoic acid
- IUPAC
- 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid
Names & synonyms
84499-67-24-(2-((2-Amino-6-oxo-5,6-dihydro-1H-purin-9(4H)-yl)methoxy)ethoxy)-4-oxobutanoic acid4-(2-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethoxy)-4-oxobutanoic acid4-{2-[(2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid4-{2-[(2-amino-6-oxo-4,5,6,9-tetrahydro-1H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acidDTXSID8010047724-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxo-butanoic acid4-{2-[(6-Hydroxy-2-imino-2,3,4,5-tetrahydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid
Database identifiers
- CAS
84499-67-2- PubChem CID
- 512014
- DTXSID
DTXSID801004772
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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