Chem
J-GLOBAL ID：200907095937314168   Nikkaji number：J1.495.361B

(3R)-3α-(Dimethoxyphosphinyl)hexahydropyridazine-1,2-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester

(3R)-3α-(ジメトキシホスフィニル)ヘキサヒドロピリダジン-1,2-ジカルボン酸ビス[(1R,3R,4S)-p-メンタン-3-イル]
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： C28H51N2O7P
Molecular formula furigana： C28-H51-N2-O7-P
Molecular weight： 558.697
InChI： InChI=1S/C28H51N2O7P/c1-18(2)22-13-11-20(5)16-24(22)36-27(31)29-15-9-10-26(38(33,34-7)35-8)30(29)28(32)37-25-17-21(6)12-14-23(25)19(3)4/h18-26H,9-17H2,1-8H3/t20-,21-,22+,23+,24-,25-,26-/m1/s1
InChI key： VYMGCPAWBCXBNU-UBZGLVDWSA-N
SMILES： COP(=O)(OC)[C@@H]1CCCN(N1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Systematic name  (3)：
  • (3R)-3α-(ジメトキシホスフィニル)ヘキサヒドロピリダジン-1,2-ジカルボン酸ビス[(1R,3R,4S)-p-メンタン-3-イル]
  • 1,2-ビス[(1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル] (3R)-3-(ジメトキシホスホリル)-1,2-ジアジナン-1,2-ジカルボキシラート
  • 1,2-bis[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl] (3R)-3-(dimethoxyphosphoryl)-1,2-diazinane-1,2-dicarboxylate
Other name (1)：
  • (3R)-3α-(Dimethoxyphosphinyl)hexahydropyridazine-1,2-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester
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