Chem
J-GLOBAL ID：201707020368637843   Nikkaji number：J3.636.414I

2-[4α-(α-D-Glucopyranosyloxy)-3β-hydroxy-2α,5β-bis(hydroxymethyl)pyrrolizino]ethylphosphonic acid

2-[4α-(α-D-グルコピラノシルオキシ)-3β-ヒドロキシ-2α,5β-ビス(ヒドロキシメチル)ピロリジノ]エチルホスホン酸
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： C14H28NO12P
Molecular formula furigana： C14-H28-N-O12-P
Molecular weight： 433.347
InChI： InChI=1S/C14H28NO12P/c16-3-6-9(19)13(7(4-17)15(6)1-2-28(23,24)25)27-14-12(22)11(21)10(20)8(5-18)26-14/h6-14,16-22H,1-5H2,(H2,23,24,25)/t6-,7-,8-,9-,10-,11+,12-,13-,14-/m1/s1
InChI key： QLKUMDMMFYIFJS-IDWYSJKESA-N
SMILES： OC[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)N1CCP(=O)(O)O
Systematic name  (3)：
  • 2-[4α-(α-D-グルコピラノシルオキシ)-3β-ヒドロキシ-2α,5β-ビス(ヒドロキシメチル)ピロリジノ]エチルホスホン酸
  • {2-[(2R,3R,4R,5R)-3-ヒドロキシ-2,5-ビス(ヒドロキシメチル)-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ピロリジン-1-イル]エチル}ホスホン酸
  • {2-[(2R,3R,4R,5R)-3-hydroxy-2,5-bis(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidin-1-yl]ethyl}phosphonic acid
Other name (1)：
  • 2-[4α-(α-D-Glucopyranosyloxy)-3β-hydroxy-2α,5β-bis(hydroxymethyl)pyrrolizino]ethylphosphonic acid
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