1,3,6-Naphthalenetrisulfonic acid, 8-(((4'-sulfo(1,1'-biphenyl)-4-yl)sulfonyl)amino)-
Basic information
- CAS
144790-77-2- Standard SMILES
O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1- InChIKey
AWVMSVMBQAYZPL-UHFFFAOYSA-N- Molecular formula
- C22H17NO14S5
- Average molar mass
- 679.7 g/mol
- Monoisotopic mass
- 678.92526008
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid, 8-(((4'-sulfo(1,1'-biphenyl)-4-yl)sulfonyl)amino)-
- IUPAC
- 8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid
- English name
- 8-(((4'-Sulfo(1,1'-biphenyl)-4-yl)sulfonyl)amino)-1,3,6-naphthalenetrisulfonic acid
- Molecular formula
- C22H17NO14S5
- Molecular weight
- 679.69
Names & synonyms
144790-77-24-Sulfobiphen-1,3,6triSO3H-4'-Naphth1NHSO21,3,6-Naphthalenetrisulfonic acid, 8-(((4'-sulfo(1,1'-biphenyl)-4-yl)sulfonyl)amino)-8-[[4-(4-sulfophenyl)phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid1,3,6-Naphthalenetrisulfonic acid, 8-[[(4'-sulfo[1,1'-biphenyl]-4-yl)sulfonyl]amino]-CHEMBL342105DTXSID501628098-(((4/'-Sulfo(1,1/'-biphenyl)-4-yl)sulfonyl)amino)-1,3,6-naphthalenetrisulfonic acid8-(4'-Sulfo[1,1'-biphenyl]-4-sulfonamido)naphthalene-1,3,6-trisulfonic acid8-(((4'-Sulfo(1,1'-biphenyl)-4-yl)sulfonyl)amino)-1,3,6-naphthalenetrisulfonic acid
Database identifiers
- CAS
144790-77-2- PubChem CID
- 454586
- DTXSID
DTXSID50162809- ChEMBL
CHEMBL342105- Nikkaji
- J527.796E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,510
Physicochemical properties
- Density
- 1.841 · 1.841±0.06 g/cm3(Predicted)
- pka
- -1.02 · -1.02±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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