Chem
J-GLOBAL ID：200907010351761844   Nikkaji number：J1.846.150A

[[(4R)-2,2-Dimethyl-5α-(tert-butoxycarbonylamino)-6β-phenyl-1,3-dioxane-4β-yl]difluoromethyl]phosphonic acid diethyl ester

[[(4R)-2,2-ジメチル-5α-(tert-ブトキシカルボニルアミノ)-6β-フェニル-1,3-ジオキサン-4β-イル]ジフルオロメチル]ホスホン酸ジエチル
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： C22H34F2NO7P
Molecular formula furigana： C22-H34-F2-N-O7-P
Molecular weight： 493.485
InChI： InChI=1S/C22H34F2NO7P/c1-8-28-33(27,29-9-2)22(23,24)18-16(25-19(26)32-20(3,4)5)17(30-21(6,7)31-18)15-13-11-10-12-14-15/h10-14,16-18H,8-9H2,1-7H3,(H,25,26)/t16-,17-,18-/m1/s1
InChI key： MHWBHFMVMBHNGC-KZNAEPCWSA-N
SMILES： CCOP(=O)(OCC)C(F)(F)[C@@H]1OC(C)(C)O[C@@H]([C@H]1NC(=O)OC(C)(C)C)c1ccccc1
Systematic name  (3)：
  • [[(4R)-2,2-ジメチル-5α-(tert-ブトキシカルボニルアミノ)-6β-フェニル-1,3-ジオキサン-4β-イル]ジフルオロメチル]ホスホン酸ジエチル
  • tert-ブチル N-[(4R,5R,6R)-4-[(ジエトキシホスホリル)ジフルオロメチル]-2,2-ジメチル-6-フェニル-1,3-ジオキサン-5-イル]カルバマート
  • tert-butyl N-[(4R,5R,6R)-4-[(diethoxyphosphoryl)difluoromethyl]-2,2-dimethyl-6-phenyl-1,3-dioxan-5-yl]carbamate
Other name (1)：
  • [[(4R)-2,2-Dimethyl-5α-(tert-butoxycarbonylamino)-6β-phenyl-1,3-dioxane-4β-yl]difluoromethyl]phosphonic acid diethyl ester
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