4-Hydroxy-5-[[10-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-10-oxodecanoyl]amino]naphthalene-2,7-disulfonic acid
Basic information
- CAS
144790-57-8- Standard SMILES
O=C(CCCCCCCCC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12- InChIKey
PMWGUADUDDZGSJ-UHFFFAOYSA-N- Molecular formula
- C30H32N2O16S4
- Average molar mass
- 804.8 g/mol
- Monoisotopic mass
- 804.06346763
Names & identifiers
- Preferred name
- 4-Hydroxy-5-[[10-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-10-oxodecanoyl]amino]naphthalene-2,7-disulfonic acid
- IUPAC
- 4-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-10-oxodecanoyl]amino]naphthalene-2,7-disulfonic acid
Names & synonyms
144790-57-84-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)amino]-10-oxodecanoyl]amino]naphthalene-2,7-disulfonic acidCHEMBL61914DTXSID403323924,4'-(1.10-Sebacyldiamino)bis(5-hydroxy-2,7-naphthalenedisulfonic acid)2,7-Naphthalenedisulfonic acid, 4,4'-[(1,10-dioxo-1,10-decanediyl)diimino]bis[5-hydroxy-4,4'-[(1,10-Dioxodecane-1,10-diyl)bis(azanediyl)]bis(5-hydroxynaphthalene-2,7-disulfonic acid)4-hydroxy-5-[[10-[(8-hydroxy-3,6-disulfo-1-naphthyl)amino]-10-oxo-decanoyl]amino]naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
144790-57-8- PubChem CID
- 454579
- DTXSID
DTXSID40332392- ChEMBL
CHEMBL61914- Nikkaji
- J527.786H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 350 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,570
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Compound notes
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