Basic information
- CAS
4323-13-1- Standard SMILES
Nc1ncnc2c1ncn2CCCCCCC(=O)O- InChIKey
MPNBGXGUVWYIIB-UHFFFAOYSA-N- Molecular formula
- C12H17N5O2
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.1382248
Names & identifiers
- Preferred name
- 7-(6-Amino-purin-9-yl)-heptanoic acid
- IUPAC
- 7-(6-aminopurin-9-yl)heptanoic acid
Names & synonyms
4323-13-17-(6-Amino-9H-purin-9-yl)heptanoic acidNSC889077-(6-Amino-purin-9-yl)-heptanoic acidCHEMBL104919NCIOpen2_005442SCHEMBL6045556DTXSID70293361BDBM50119831NSC-88907
Database identifiers
- CAS
4323-13-1- PubChem CID
- 259205
- DTXSID
DTXSID70293361- ChEMBL
CHEMBL104919- Nikkaji
- J2.030.686F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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