Hexanedioic acid, 2-[[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-
Basic information
- CAS
10597-97-4- Standard SMILES
Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCCC(=O)O)C(=O)O)cc1)CN2- InChIKey
UWDNHTZROMSCJT-UHFFFAOYSA-N- Molecular formula
- C20H25N7O6
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.18663154
Names & identifiers
- Preferred name
- Hexanedioic acid, 2-[[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-
- IUPAC
- 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]hexanedioic acid
Names & synonyms
DTXSID00111101210597-97-4Hexanedioic acid, 2-[[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-
Database identifiers
- CAS
10597-97-4- PubChem CID
- 165367667
- DTXSID
DTXSID001111012
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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