[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

HCID 930

基本情報

標準SMILES
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1
InChIKey
ACFIXJIJDZMPPO-UHFFFAOYSA-N
分子式
C21H30N7O17P3
平均分子量
745.4 g/mol
単同位体質量
745.09110351

名称と識別子

優先名称
[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
IUPAC
[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

名称と別名

dihydro-nicotinamide-adenine-dinucleotide phosphate|A-NADPH-d|A-TPNH-dDihydro-codehydrogenase II-dSCHEMBL29362930Triphosphopyridine Nucleotide-d Reduced25 MG-NICOTINAMIDE ADENINE DINUCLEOTIDEPHOSPHATE REDUCED.NA4-SALT AN.GR.[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate|A-Nicotinamide-adenine-dinucleotide-phosphoric Acid-dAdenosine 5'-(trihydrogen diphosphate) 2'-(Dihydrogen Phosphate) P'-5'-Ester with (4S)-1,4-Dihydro-1-|A-d-ribofuranosyl-3-pyridine-4-d-carboxamideIminodicarboxylic Acid Di-tert-butyl Ester; Di-t-butyl iminodicarboxylate; [[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-te trahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3R,4S,5S)-5-( 3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetra

データベース識別子

PubChem CID
930

物性

構造計算による物性

XLogP
-6.8
極性表面積
364 Ų
水素結合供与体数
9
水素結合受容体数
22
回転可能結合数
13
重原子数
48

関連反応

8 件

関連ノート

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