Basic information
- CAS
182061-89-8- Standard SMILES
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccc(Nc2nc(NCCS(=O)(=O)[O-])nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-].[Na+]- InChIKey
AEZRYPPSGIYURL-UHFFFAOYSA-K- Molecular formula
- C25H26N9NaO12S3-2
- Average molar mass
- 763.7 g/mol
- Monoisotopic mass
- 763.0760751
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 6-amino-5-((4-((4-(bis(2-hydroxyethyl)amino)-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4-hydroxy-, trisodium salt
- IUPAC
- sodium 6-amino-5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Names & synonyms
M-3772-Naphthalenesulfonic acid, 6-amino-5-((4-((4-(bis(2-hydroxyethyl)amino)-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4-hydroxy-, trisodium saltM 377EC 419-720-5Trisodium 1-((((4-(4-(bis-(2-hydroxyethyl)amino)-6- ((2-sulfonatoethyl)amino))-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-2-amino-8-hydroxy-6-naphthalene sulfonateNS00078546
Database identifiers
- CAS
182061-89-8- PubChem CID
- 136170959
Properties
Computed structural properties
- Topological polar surface area
- 374 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 12
- Heavy atoms
- 50
- Formal charge
- -2
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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