Basic information
- CAS
6276-93-3- Standard SMILES
CC(=O)Nc1ccc(/C=C/c2ccc(NC(=O)Nc3ccc(/C=C/c4ccc(NC(C)=O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[Na+]- InChIKey
OIBXDJAEPSZBCP-WEUBHIEESA-N- Molecular formula
- C33H30N4NaO15S4+
- Average molar mass
- 873.9 g/mol
- Monoisotopic mass
- 873.04882024
Names & identifiers
- Preferred name
- 2, 4,4''-Ureylenebis [4'-acetamido-, tetrasodium salt
- IUPAC
- sodium 5-acetamido-2-[(E)-2-[4-[[4-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]-3-sulfophenyl]carbamoylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Names & synonyms
NSC349286276-93-32, 4,4''-ureylenebis [4'-acetamido-, tetrasodium saltNSC-34928
Database identifiers
- CAS
6276-93-3- PubChem CID
- 54598505
Properties
Computed structural properties
- Topological polar surface area
- 350 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 57
- Formal charge
- 1
- Complexity
- 1,800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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