Chem
J-GLOBAL ID：200907017661015543   Nikkaji number：J2.294.243C

[(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-(benzyloxycarbonyloxy)undecyl]phosphonic acid

[(3S,4R)-1,1-ジフルオロ-3-(ヘキサノイルアミノ)-4-(ベンジルオキシカルボニルオキシ)ウンデシル]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： C25H40F2NO7P
Molecular formula furigana： C25-H40-F2-N-O7-P
Molecular weight： 535.566
InChI： InChI=1S/C25H40F2NO7P/c1-3-5-7-8-13-16-22(35-24(30)34-19-20-14-11-9-12-15-20)21(18-25(26,27)36(31,32)33)28-23(29)17-10-6-4-2/h9,11-12,14-15,21-22H,3-8,10,13,16-19H2,1-2H3,(H,28,29)(H2,31,32,33)/t21-,22+/m0/s1
InChI key： RWDIBJPSQXRWKW-FCHUYYIVSA-N
SMILES： CCCCCCC[C@@H](OC(=O)OCc1ccccc1)[C@H](CC(F)(F)P(=O)(O)O)NC(=O)CCCCC
Systematic name  (3)：
  • [(3S,4R)-1,1-ジフルオロ-3-(ヘキサノイルアミノ)-4-(ベンジルオキシカルボニルオキシ)ウンデシル]ホスホン酸
  • [(3S,4R)-4-{[(ベンジルオキシ)カルボニル]オキシ}-1,1-ジフルオロ-3-ヘキサンアミドウンデシル]ホスホン酸
  • [(3S,4R)-4-{[(benzyloxy)carbonyl]oxy}-1,1-difluoro-3-hexanamidoundecyl]phosphonic acid
Other name (1)：
  • [(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-(benzyloxycarbonyloxy)undecyl]phosphonic acid
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