Pontamine Blue CLG
Basic information
- CAS
6420-13-9- Standard SMILES
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cccc(S(=O)(=O)O)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1O.[Na+]- InChIKey
DJUJNJDPJXKBMN-UHFFFAOYSA-N- Molecular formula
- C34H27N5NaO11S3+
- Average molar mass
- 800.8 g/mol
- Monoisotopic mass
- 800.0766895
Names & identifiers
- Preferred name
- Pontamine Blue CLG
- IUPAC
- sodium 7-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-8-hydroxynaphthalene-1,6-disulfonic acid
Names & synonyms
Columbia Blue GPontamine Blue CLGNSC757806420-13-9NSC-75780C.I. 237401, 7-[[4'-[(8-amino-1-hydroxy-5-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-8-hydroxy-, trisodium salt1, 7-[[4'-[(8-amino-1-hydroxy-5-sulfo-2-naphthyl)azo]-3,3'-dimethyl-4-biphenylyl]azo]-8-hydroxy-, trisodium salt
Database identifiers
- CAS
6420-13-9- PubChem CID
- 135534331
Properties
Computed structural properties
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 54
- Formal charge
- 1
- Complexity
- 1,680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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