6-Amino-7H-purine-8-carboxylic acid
Basic information
- CAS
28128-35-0- Standard SMILES
Nc1ncnc2nc(C(=O)O)[nH]c12- InChIKey
NDUFJLQCIHOUCP-UHFFFAOYSA-N- Molecular formula
- C6H5N5O2
- Average molar mass
- 179.14 g/mol
- Monoisotopic mass
- 179.04432442
Names & identifiers
- Preferred name
- 6-Amino-7H-purine-8-carboxylic acid
- IUPAC
- 6-amino-7H-purine-8-carboxylic acid
Names & synonyms
28128-35-0DTXSID7012953126-amino-9H-purine-8-carboxylic acid6-Amino-7H-purine-8-carboxylic acid
Database identifiers
- CAS
28128-35-0- PubChem CID
- 83671898
- DTXSID
DTXSID701295312
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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