Basic information
- CAS
96848-67-8- Standard SMILES
Nc1nc(N)c2nc(-c3ccc(OCCCCC(=O)O)cc3)c(N)nc2n1- InChIKey
ANJXEAUTOIFZHN-UHFFFAOYSA-N- Molecular formula
- C17H19N7O3
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15493749
Names & identifiers
- Preferred name
- Pentanoic acid, 5-(4-(2,4,7-triaminopteridin-6-yl)phenoxy)-
- IUPAC
- 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoic acid
Names & synonyms
Pentanoic acid, 5-(4-(2,4,7-triaminopteridin-6-yl)phenoxy)-5-(4-(2,4,7-Triaminopteridin-6-yl)phenoxy)pentanoic acid96848-67-85-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoic acidDTXSID30242592RefChem:368223DTXCID60165083SCHEMBL104600032,4,7-triamino-6-[4-(4-carboxybutoxy)phenyl]-pteridine
Database identifiers
- CAS
96848-67-8- PubChem CID
- 175691
- DTXSID
DTXSID30242592- Nikkaji
- J362.973B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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