Basic information
- CAS
1160628-60-3- Standard SMILES
NCCN(CCN)CCNc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1- InChIKey
QHDJPPMFUZDHPS-UHFFFAOYSA-N- Molecular formula
- C29H31ClN10O10S3
- Average molar mass
- 811.3 g/mol
- Monoisotopic mass
- 810.1075284
Names & identifiers
- Preferred name
- 5-[[4-[[2-[Bis(2-aminoethyl)amino]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(1-sulfo-2-naphthalenyl)diazenyl]-2,7-naphthalenedisulfonic acid
- IUPAC
- 5-[[4-[2-[bis(2-aminoethyl)amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID7010995921160628-60-35-[[4-[[2-[Bis(2-aminoethyl)amino]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(1-sulfo-2-naphthalenyl)diazenyl]-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
1160628-60-3- PubChem CID
- 165366271
- DTXSID
DTXSID701099592
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 351 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 15
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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