Chem
J-GLOBAL ID：200907028086502439   Nikkaji number：J925.955D

1-O-[4-[Bis(2-chloroethyl)phosphinyloxymethyl]phenyl]-β-D-glucopyranuronic acid

1-O-[4-[ビス(2-クロロエチル)ホスフィニルオキシメチル]フェニル]-β-D-グルコピラヌロン酸
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： C17H23Cl2O9P
Molecular formula furigana： C17-H23-CL2-O9-P
Molecular weight： 473.240
InChI： InChI=1S/C17H23Cl2O9P/c18-5-7-29(25,8-6-19)26-9-10-1-3-11(4-2-10)27-17-14(22)12(20)13(21)15(28-17)16(23)24/h1-4,12-15,17,20-22H,5-9H2,(H,23,24)/t12-,13-,14+,15-,17+/m0/s1
InChI key： WPRQPUCLPHOMEG-KSXIZUIISA-N
SMILES： O[C@@H]1[C@@H](O)[C@H](Oc2ccc(COP(=O)(CCCl)CCCl)cc2)O[C@@H]([C@H]1O)C(=O)O
Systematic name  (3)：
  • 1-O-[4-[ビス(2-クロロエチル)ホスフィニルオキシメチル]フェニル]-β-D-グルコピラヌロン酸
  • (2S,3S,4S,5R,6S)-6-[4-({[ビス(2-クロロエチル)ホスホリル]オキシ}メチル)フェノキシ]-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-6-[4-({[bis(2-chloroethyl)phosphoryl]oxy}methyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 1-O-[4-[Bis(2-chloroethyl)phosphinyloxymethyl]phenyl]-β-D-glucopyranuronic acid
Thsaurus map：
Thesaurus Map

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