Chem
J-GLOBAL ID：201507042621770405
Nikkaji number：J3.339.886G
Adenosine 5′-diphosphoric acid P2-[2-(acetylamino)-2,5-dideoxy-β-D-ribofuranose-5-yl] ester
アデノシン5′-二りん酸P2-[2-(アセチルアミノ)-2,5-ジデオキシ-β-D-リボフラノース-5-イル]
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C17H26N6O14P2
Molecular formula furigana： C17-H26-N6-O14-P2
Molecular weight： 600.371
InChI：
InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1
InChI key：
YKUBGMLROVEQHG-YUGVQSHHSA-N
SMILES：
CC(=O)N[C@H]1[C@H](O)O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H]1O
Systematic name (3)：
- アデノシン5′-二りん酸P2-[2-(アセチルアミノ)-2,5-ジデオキシ-β-D-リボフラノース-5-イル]
- {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}[({[(2R,3S,4R,5R)-4-アセトアミド-3,5-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]ホスフィン酸
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-4-acetamido-3,5-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
- Adenosine 5′-diphosphoric acid P2-[2-(acetylamino)-2,5-dideoxy-β-D-ribofuranose-5-yl] ester
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