Basic information
- CAS
66217-02-5- Standard SMILES
O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1- InChIKey
HIVSSNOQZTVJKW-UHFFFAOYSA-N- Molecular formula
- C31H22N4O12S3
- Average molar mass
- 738.7 g/mol
- Monoisotopic mass
- 738.03963567
Names & identifiers
- Preferred name
- 4-Hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenesulfonic acid
- IUPAC
- 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
T6OZDY44V0UNII-T6OZDY44V0NSC 456164-Hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenesulfonic acid66217-02-52-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-NSC-45616CHEMBL1092439
Database identifiers
- CAS
66217-02-5- PubChem CID
- 73020
- ChEMBL
CHEMBL1092439- UNII
- T6OZDY44V0
- Nikkaji
- J293.367E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 295 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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