Dihydronicotinamide formycin dinucleotide

HCID 928CAS 74927-11-0

基本情報

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

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

関連ノート

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