Chemical Compound

(2r,3r,4r,5r)-5-({[{[{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoylpyridinium-1-yl)-4-hydroxytetrahydrofuran-3-olate(non-preferred name)

CAS Registry Number 6697-37-6
(2r,3r,4r,5r)-5-({[{[{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoylpyridinium-1-yl)-4-hydroxytetrahydrofuran-3-olate(non-preferred name) 结构式
Primary record

(2r,3r,4r,5r)-5-({[{[{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoylpyridinium-1-yl)-4-hydroxytetrahydrofuran-3-olate(non-preferred name)

库存
2,512 克
纯度
99.0 %
CAS
6697-37-6

化合物标识与属性

CAS
6697-37-6
PubChem CID
188996
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)[O-])O)O
Canonical SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](O)[C@H]2[O-])c1

名称与同义词

  • 2'-Deoxy NAD
  • 2'-Dnad
  • RefChem:80305
  • AC1L4NUZ
  • AC1Q5J0M
  • 2'-Deoxynicotinamide adenine dinucleotide
  • KST-1A8185
  • AR-1A2880
  • CID188996
  • 6697-37-6
  • (2R,3R,4S,5R)-5-[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
  • (2r,3r,4r,5r)-5-({[{[{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-(3-carbamoylpyridinium-1-yl)-4-hydroxytetrahydrofuran-3-olate(non-preferred name)
  • 77566-20-2
  • 2'-Deoxyadenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta- D-ribofuranosylpyridinium hydroxide, inner salt
  • 2'-Deoxyadenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt