Didansyl-L-lysine
Basic information
- CAS
1263-03-2- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](NS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)O)cccc12- InChIKey
OLAZYTPTPLUAPK-VWLOTQADSA-N- Molecular formula
- C30H36N4O6S2
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.20762723
Names & identifiers
- Preferred name
- Didansyl-L-lysine
- IUPAC
- (2S)-2,6-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
- English name
- Didansyl-L-lysine
- Molecular formula
- C30H36N4O6S2
- Molecular weight
- 612.76
Names & synonyms
Didansyl-L-lysine1263-03-2DTXSID50431769RefChem:337530DTXCID40382599(2S)-2,6-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acidn,n'-didansyl-l-lysineSCHEMBL4146037N~2~,N~6~-Bis[5-(dimethylamino)naphthalene-1-sulfonyl]-L-lysineL-Lysine, N2,N6-bis[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
Database identifiers
- CAS
1263-03-2- PubChem CID
- 9851901
- DTXSID
DTXSID50431769- Nikkaji
- J304.962K
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 809.5 · 809.5±75.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.27 · 3.27±0.21(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
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Related reactions
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Compound notes
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