N(6)-(N-(2-Aminoethyl)carbamoyl)nadp
(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxymethyl]-4-carbamoyl-4-hydroxy-2-pyridin-1-ium-1-yloxolan-3-olate
Also Known As: Aecenadp|N(6)-(N-(2-Aminoethyl)carbamoyl)nadp|(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxymethyl]-4-carbamoyl-4-hydroxy-2-pyridin-1-ium-1-yloxolan-3-olate|Adenosine 5'-(trihydrogen diphosphate), N-(3-((2-aminoethyl)amino)-3-oxopropyl)-, 2'-(dihydrogen phosphate), 5'-5'-ester with 3'-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt
| Molecular Formula | C26H38N9O18P3 |
|---|---|
| Molecular Weight | 857.1548 g/mol |
| LogP | -8.3 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Exact Mass | 857.1548 |
| Monoisotopic Mass | 857.1548 |
| Heavy Atoms | 56 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 95754-67-9 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)[C@H]2[C@@H]([C@]([C@H](O2)COP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCCC(=O)NCCN)OP(=O)(O)O)O)OP(=O)(O)O)(C(=O)N)O)[O-] |
| InChIKey | NVTXONBQSHSMAR-UTRFKAFOSA-N |
Product Overview
N(6)-(N-(2-Aminoethyl)carbamoyl)nadp (CAS 95754-67-9), with molecular formula C26H38N9O18P3 and molecular weight 857.1548 g/mol. IUPAC: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-aminoethylamino)-3-oxopropyl]amino]purin-9-yl]-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxymethyl]-4-carbamoyl-4-hydroxy-2-pyridin-1-ium-1-yloxolan-3-olate.