Basic information
- CAS
80214-45-5- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)N[C@@H]3[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]3n3cnc4c(N)ncnc43)cccc12- InChIKey
LJBBNUJRGFSTNW-YDVTWLGESA-N- Molecular formula
- C22H28N7O14P3S
- Average molar mass
- 739.5 g/mol
- Monoisotopic mass
- 739.06278076
Names & identifiers
- Preferred name
- dansylamino deoxy-ATP
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- dansylamino deoxy-ATP
- Molecular formula
- C22H28N7O14P3S
- Molecular weight
- 739.482503
Names & synonyms
Dansylamino deoxy-ATP80214-45-5Dns-ATPDansylamino deoxy-adenosine triphosphateDTXSID502301532'-(5-Dimethylaminonaphthalene-1-sulfonyl)amino-2'-deoxy-ATPAdenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-RefChem:130893DTXCID50152644(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-(5-(dimethylamino)naphthalene-1-sulfonamido)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid2'-Deoxy-2'-[5-(dimethylamino)naphthalene-1-sulfonamido]adenosine 5'-(tetrahydrogen triphosphate)DANSYLAMINO DEOXYADENOSINE TRIPHOSPHONATE
Database identifiers
- CAS
80214-45-5- PubChem CID
- 196159
- DTXSID
DTXSID50230153
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 317 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,370
Chemistry & industry
Suppliers1 total
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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