Basic information
- CAS
6535-71-3- Standard SMILES
O=S(=O)(O)c1cc(O)c2c(NS(=O)(=O)c3ccc4cc(O)ccc4c3)ccc(S(=O)(=O)O)c2c1- InChIKey
GOSKXOUVLIDYTF-UHFFFAOYSA-N- Molecular formula
- C20H15NO10S3
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 524.9858092
Names & identifiers
- Preferred name
- 5-Hydroxy-4-(((6-hydroxy-2-naphthyl)sulphonyl)amino)naphthalene-1,7-disulphonic acid
- IUPAC
- 5-hydroxy-4-[(6-hydroxynaphthalen-2-yl)sulfonylamino]naphthalene-1,7-disulfonic acid
- English name
- 5-hydroxy-4-[[(6-hydroxy-2-naphthyl)sulphonyl]amino]naphthalene-1,7-disulphonic acid
- Molecular formula
- C20H15NO10S3
- Molecular weight
- 525.53
Names & synonyms
6535-71-35-Hydroxy-4-(((6-hydroxy-2-naphthyl)sulphonyl)amino)naphthalene-1,7-disulphonic acid5-hydroxy-4-[(6-hydroxynaphthalen-2-yl)sulfonylamino]naphthalene-1,7-disulfonic acidEINECS 229-446-6DTXSID50215682GOSKXOUVLIDYTF-UHFFFAOYSA-N5-HYDROXY-4-(6-HYDROXYNAPHTHALENE-2-SULFONAMIDO)NAPHTHALENE-1,7-DISULFONIC ACIDNS000358668-(6-hydroxy-2-naphthylsulfonamido)-1-naphthol-3,5-disulfonic acid4-[(6-Hydroxy-2-naphtylsulfonyl)amino]-5-hydroxy-1,7-naphthalenedisulfonic acid5-hydroxy-4-[[(6-hydroxy-2-naphthyl)sulphonyl]amino]naphthalene-1,7-disulphonic acid1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[(6-hydroxy-2-naphthalenyl)sulfonyl]amino]-
Database identifiers
- CAS
6535-71-3- PubChem CID
- 81025
- DTXSID
DTXSID50215682- EC Number
- 229-446-6
- Nikkaji
- J173.414H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,060
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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