Chemical Compound

1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium

CAS Registry Number 59587-50-7
1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium 结构式
Primary record

1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium

库存
6,835 克
纯度
98.4 %
CAS
59587-50-7

化合物标识与属性

CAS
59587-50-7
PubChem CID
155290908
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCCN)O)O)O)O)C(=O)N
Canonical SMILES
NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H]([n+]3cccc(C(N)=O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

名称与同义词

  • aNAD+
  • N6-(2-Aminoethyl)-NAD
  • N6-(2-Aminoethyl)NAD
  • N-(2-Aminoethyl)-NAD+
  • N6-(2-aminoethyl)-NAD+
  • J585.402D
  • 59587-50-7
  • 1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-{6-[(2-aminoethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium
  • 3-(Aminocarbonyl)-1-[5-O-[[[N-(2-aminoethyl)-5 -adenylyl]oxy]oxylatophosphinyl]-beta-D-ribofuranosyl]pyridinium
  • 3-(Aminocarbonyl)-1-[5-O-[[N-(2-aminoethyl)-5 -adenylyloxy]oxylatophosphinyl]-beta-D-ribofuranosyl]pyridinium
  • 3-Carbamoyl-1-[5-O-[[N-(2-aminoethyl)-5 -adenylyloxy]oxylatophosphinyl]-beta-D-ribofuranosyl]pyridinium