Chem
J-GLOBAL ID：201707003838404091   Nikkaji number：J3.629.847B

α-D-Glucopyranosyl 6-(phosphonofluoromethyl)-6-deoxy-α-D-glucopyranoside

α-D-グルコピラノシル6-(ホスホノフルオロメチル)-6-デオキシ-α-D-グルコピラノシド
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： C13H24FO13P
Molecular formula furigana： C13-H24-F-O13-P
Molecular weight： 438.294
InChI： InChI=1S/C13H24FO13P/c14-5(28(22,23)24)1-3-6(16)8(18)10(20)12(25-3)27-13-11(21)9(19)7(17)4(2-15)26-13/h3-13,15-21H,1-2H2,(H2,22,23,24)/t3-,4-,5?,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1
InChI key： IQJRGKASMHXALE-KCAULPPTSA-N
SMILES： OC[C@H]1O[C@H](O[C@H]2O[C@H](CC(F)P(=O)(O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • α-D-グルコピラノシル6-(ホスホノフルオロメチル)-6-デオキシ-α-D-グルコピラノシド
  • {1-フルオロ-2-[(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(2R,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}オキサン-2-イル]エチル}ホスホン酸
  • {1-fluoro-2-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]ethyl}phosphonic acid
Other name (1)：
  • α-D-Glucopyranosyl 6-(phosphonofluoromethyl)-6-deoxy-α-D-glucopyranoside
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