Pentanoic acid, 5-((8-hydroxy-3,6-disulfo-1-naphthalenyl)amino)-5-oxo-
Basic information
- CAS
144790-70-5- Standard SMILES
O=C(O)CCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12- InChIKey
VTABPPRWKFVMRW-UHFFFAOYSA-N- Molecular formula
- C15H15NO10S2
- Average molar mass
- 433.4 g/mol
- Monoisotopic mass
- 433.01373802
Names & identifiers
- Preferred name
- Pentanoic acid, 5-((8-hydroxy-3,6-disulfo-1-naphthalenyl)amino)-5-oxo-
- IUPAC
- 5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-5-oxopentanoic acid
Names & synonyms
4OHCOButamide-5OH-Naphth-2,7diSO3H144790-70-5Pentanoic acid, 5-((8-hydroxy-3,6-disulfo-1-naphthalenyl)amino)-5-oxo-Pentanoic acid, 5-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-5-oxo-CHEMBL145556DTXSID901628085-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-5-oxopentanoic acid5-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-5-oxo-pentanoic acid
Database identifiers
- CAS
144790-70-5- PubChem CID
- 454577
- DTXSID
DTXSID90162808- ChEMBL
CHEMBL145556- Nikkaji
- J527.792B
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 798
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Related reactions
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Compound notes
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