Chem
J-GLOBAL ID:201007037034741605
Nikkaji number:J2.858.632I
Adenosine 5′-diphosphoric acid β-(2-O-acetyl-5-deoxy-β-D-ribofuranose-5-yl) ester
アデノシン5′-二りん酸β-(2-O-アセチル-5-デオキシ-β-D-リボフラノース-5-イル)
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Substance type:
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
Molecular formula:
C17 H25 N5 O15 P2
Molecular formula furigana:
C17-H25-N5-O15-P2
Molecular weight:
601.355
InChI:
InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
InChI key:
BFNOPXRXIQJDHO-QJWJOKBXSA-N
SMILES:
CC(=O)O[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β-(2-O-アセチル-5-デオキシ-β-D-リボフラノース-5-イル)
[({[(2R,3R,4R,5R)-4-(アセチルオキシ)-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]({[(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})ホスフィン酸
[({[(2R,3R,4R,5R)-4-(acetyloxy)-3,5-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (1):
Adenosine 5′-diphosphoric acid β-(2-O-acetyl-5-deoxy-β-D-ribofuranose-5-yl) ester
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