Basic information
- CAS
5051-96-7- Standard SMILES
CN=C(NC(C=O)C(O)C(O)C(O)CO)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NC(C=O)C(O)C(O)C(O)CO)cc3)cc2)cc1- InChIKey
RNWOPFLWFKVHPE-UHFFFAOYSA-N- Molecular formula
- C36H44N6O12
- Average molar mass
- 752.8 g/mol
- Monoisotopic mass
- 752.30172086
Names & identifiers
- Preferred name
- 1-N,4-N-bis[4-[N'-methyl-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)carbamimidoyl]phenyl]benzene-1,4-dicarboxamide
- IUPAC
- 1-N,4-N-bis[4-[N'-methyl-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)carbamimidoyl]phenyl]benzene-1,4-dicarboxamide
Names & synonyms
5051-96-7NSC710831-N,4-N-bis[4-[N'-methyl-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)carbamimidoyl]phenyl]benzene-1,4-dicarboxamideDTXSID10328949NSC-71083N~1~,N~4~-Bis{4-[N'-methyl-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)carbamimidoyl]phenyl}benzene-1,4-dicarboxamide
Database identifiers
- CAS
5051-96-7- PubChem CID
- 415587
- DTXSID
DTXSID10328949
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 303 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 20
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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