Chem
J-GLOBAL ID：200907008119272760   Nikkaji number：J2.430.753K

Adenosine 5′-[phosphoric acid (R)-1-methyl-2-[(6S)-6-(hydroxymethyl)-β-D-mannopyranosyl]ethyl] ester

アデノシン5′-[りん酸(R)-1-メチル-2-[(6S)-6-(ヒドロキシメチル)-β-D-マンノピラノシル]エチル]
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： C20H32N5O13P
Molecular formula furigana： C20-H32-N5-O13-P
Molecular weight： 581.472
InChI： InChI=1S/C20H32N5O13P/c1-7(2-9-12(28)14(30)15(31)17(36-9)8(27)3-26)38-39(33,34)35-4-10-13(29)16(32)20(37-10)25-6-24-11-18(21)22-5-23-19(11)25/h5-10,12-17,20,26-32H,2-4H2,1H3,(H,33,34)(H2,21,22,23)/t7-,8+,9+,10-,12-,13-,14-,15+,16-,17-,20-/m1/s1
InChI key： KMYAQBXCNBRSNR-VHKXYEKJSA-N
SMILES： C[C@H](C[C@@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name  (3)：
  • アデノシン5′-[りん酸(R)-1-メチル-2-[(6S)-6-(ヒドロキシメチル)-β-D-マンノピラノシル]エチル]
  • {[(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)-1-[(2S,3S,4R,5S,6R)-6-[(1S)-1,2-ジヒドロキシエチル]-3,4,5-トリヒドロキシオキサン-2-イル]プロパン-2-イル]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)-1-[(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]propan-2-yl]oxy})phosphinic acid
Other name (1)：
  • Adenosine 5′-[phosphoric acid (R)-1-methyl-2-[(6S)-6-(hydroxymethyl)-β-D-mannopyranosyl]ethyl] ester
Thsaurus map：
Thesaurus Map

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