CAS 88091-69-4 Adenosine, 2'-deoxy-N-[[2-(4-nitrophenyl)ethoxy]carbonyl]- (HCID 10873933)

基本情報

CAS: 88091-69-4
標準SMILES: O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)OCCc1ccc([N+](=O)[O-])cc1
InChIKey: LHTJNTWNVBJZAL-RRFJBIMHSA-N
分子式: C19H20N6O7
平均分子量: 444.4 g/mol
単同位体質量: 444.13934698

名称と識別子

優先名称: Adenosine, 2'-deoxy-N-[[2-(4-nitrophenyl)ethoxy]carbonyl]-
IUPAC: 2-(4-nitrophenyl)ethyl N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamate

名称と別名

88091-69-44-Nitrophenethyl (9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)carbamateAdenosine, 2'-deoxy-N-[[2-(4-nitrophenyl)ethoxy]carbonyl]-DTXSID90446655LHTJNTWNVBJZAL-RRFJBIMHSA-N2-(4-nitrophenyl)ethyl N-{9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}carbamate2'-Deoxy-N-{[2-(4-nitrophenyl)ethoxy]carbonyl}adenosineN6 -(2-(4-nitrophenyl)ethoxycarbonyl)-2'-deoxyadenosineAdenosine, 2'-deoxy-N-[[2-(4-nitrophenyl)ethoxy]carbonyl]- (9CI)

データベース識別子

CAS: 88091-69-4
PubChem CID: 10873933
DTXSID: DTXSID90446655

物性

構造計算による物性

XLogP: 0.8
極性表面積: 177 Å²
水素結合供与体数: 3
水素結合受容体数: 10
回転可能結合数: 7
重原子数: 32
形式電荷: 0
複雑度: 659

化合物ノート

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