n-[(4-Nitrophenyl)sulfonyl]glutamic acid
Basic information
- CAS
6328-28-5- Standard SMILES
O=C(O)CCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
WPAZMIBKHXQHSZ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O8S
- Average molar mass
- 332.29 g/mol
- Monoisotopic mass
- 332.03143652
Names & identifiers
- Preferred name
- n-[(4-Nitrophenyl)sulfonyl]glutamic acid
- IUPAC
- 2-[(4-nitrophenyl)sulfonylamino]pentanedioic acid
- English name
- 2-[(4-nitrophenyl)sulfonylamino]pentanedioic acid
- Molecular formula
- C11H12N2O8S
- Molecular weight
- 332.29
Names & synonyms
6328-28-5n-[(4-nitrophenyl)sulfonyl]glutamic acidNSC43656SCHEMBL7100832DTXSID40286063NSC-43656NSC406611AKOS002969945NSC-406611N-(4-Nitrobenzene-1-sulfonyl)glutamic acidST509929782-{[(4-nitrophenyl)sulfonyl]amino}pentanedioic acid
Show more names
L-Glutamic acid, N-[(4-nitrophenyl)sulfonyl]-2-[(4-nitrophenyl)sulfonylamino]pentanedioic acid
Database identifiers
- CAS
6328-28-5- PubChem CID
- 238976
- DTXSID
DTXSID40286063
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Melting point
- 186 °C · 186 °C(Solv: water (7732-18-5))
- Boiling point
- 609.2 · 609.2±65.0 °C(Predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.10(Predicted)
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Related reactions
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Compound notes
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