Dansyl-NECA
(2S,3S,4R,5R)-5-[6-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Also Known As: Dansyl-NECA|Dansylhexyl NECA|EX-A8516|9-[(2R,5S)-5-(ethylcarbamoyl)-2,5-dihydrofuran-2-yl]-6-[6-(s|(2S,3S,4R,5R)-5-(6-((6-((5-(dimethylamino)naphthalene)-1-sulfonamido)hexyl)amino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide|(2S,3S,4R,5R)-5-(6-((6-(5-(Dimethylamino)naphthalene-1-sulfonamido)hexyl)amino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide|(2S,3S,4R,5R)-5-[6-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide|1-Deoxy-1-[6-[[6-[[[5-dimethylamino)-1-naphthalenyl]sulfonyl]amino]hexyl]amino]-9H-purin-9-yl]-N-ethyl-?-D-ribofuranuronamide|(2S,3S,4R,5R)-5-[6-({6-[5-(Dimethylamino)naphthalene-1-sulfonamido]hexyl}amino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide|1-Deoxy-1-[6-[[6-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]hexyl]amino]-9H-purin-9-yl]-N-ethyl-I(2)-D-ribofuranuronamide|9-[(2R,5S)-5-(ethylcarbamoyl)-2,5-dihydrofuran-2-yl]-6-[6-(sulfinatoamino)hexylamino]purine
| Molecular Formula | C30H40N8O6S |
|---|---|
| Molecular Weight | 640.2792 g/mol |
| LogP | 1.7516 |
| Topological Polar Surface Area | 183.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 640.2792 |
| Monoisotopic Mass | 640.2792 |
| Heavy Atoms | 45 |
| Complexity | 1747.1373 |
Chemical Identifiers
| CAS Number | 219982-12-4 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCCCCCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)O)O |
Product Overview
Dansyl-NECA (CAS 219982-12-4), with molecular formula C30H40N8O6S and molecular weight 640.2792 g/mol. IUPAC: (2S,3S,4R,5R)-5-[6-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide.