10-Oxaaminopterin
Basic information
- CAS
57963-55-0- Standard SMILES
Nc1nc(N)c2nc(COc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1- InChIKey
OXQRBFXBEFIQLR-UHFFFAOYSA-N- Molecular formula
- C19H19N7O6
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.13968135
Names & identifiers
- Preferred name
- 10-Oxaaminopterin
- IUPAC
- 2-[[4-[(2,4-diaminopteridin-6-yl)methoxy]benzoyl]amino]pentanedioic acid
Names & synonyms
10-OxaaminopterinDTXSID8033033757963-55-02-[[4-[(2,4-diaminopteridin-6-yl)methoxy]benzoyl]amino]pentanedioic acid2-((4-((2,4-diaminopteridin-6-yl)methoxy)benzoyl)amino)pentanedioic acidRefChem:77617DTXCID40281432CHEMBL10804857398-03-92,4-Diamino-6-[[p-[(1,3-dicarboxypropyl)carbamoyl]phenoxy]methyl]-pteridineNSC245428SCHEMBL12918463
Show more names
BDBM50028369NSC-245428N-{4-[(2,4-Diaminopteridin-6-yl)methoxy]benzoyl}glutamic acid2-[4-(2,4-Diamino-pteridin-6-ylmethoxy)-benzoylamino]-pentanedioic acid2-[4-(2,4-Diamino-pteridin-6-ylmethoxy)-benzoylamino]-pentanedioic acid (10-Oxaaminopterin)
Database identifiers
- CAS
57963-55-0- PubChem CID
- 429008
- DTXSID
DTXSID80330337- ChEMBL
CHEMBL10804
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
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Compound notes
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