Dihydronicotinamide formycin dinucleotide
基本情報
- CAS
74927-11-0- 標準SMILES
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1- InChIKey
BOPGDPNILDQYTO-UHFFFAOYSA-N- 分子式
- C21H29N7O14P2
- 平均分子量
- 665.4 g/mol
- 単同位体質量
- 665.12477187
概要
NADH is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
名称と識別子
- 優先名称
- Dihydronicotinamide formycin dinucleotide
- IUPAC
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- 英語名
- dihydronicotinamide formycin dinucleotide
- 分子式
- C21H29N7O14P2
- 分子量
- 665.45
名称と別名
Dihydronicotinamide formycin dinucleotideNFDH74927-11-0[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate((5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) (5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphateRefChem:133894Dihydronicotinamide-adenine dinucleotideCERAPP_26258SCHEMBL12253377SCHEMBL29740660DTXSID20861594dihydronicotinamide adenine dinu-cleotide
名称をさらに表示
D-Ribitol, 1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(trihydrogen diphosphate), P'→5'-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide, (1S)- (9CI)
NS00041065[5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(3-carbamoylpyridin-1(4H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphateD-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, 5-(trihydrogen diphosphate), 5-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide, (S)-
データベース識別子
- CAS
74927-11-0- PubChem CID
- 928
- DTXSID
DTXSID20861594
物性
構造計算による物性
- XLogP
- -5.7
- 極性表面積
- 318 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 19
- 回転可能結合数
- 11
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,230
物理化学的性質
- 沸点
- 1101.3 · 1101.3±75.0 °C(Predicted)
- 比重(密度)
- 1.868 · 1.868±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.13 · 1.13±0.50(Predicted)
関連反応
5 件
化合物ノート
読み込み中…