Chem
J-GLOBAL ID:200907003582199018
Nikkaji number:J1.495.360D
(3S)-3β-(Dimethoxyphosphinyl)hexahydropyridazine-1,2-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester
(3S)-3β-(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]
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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:
C28 H51 N2 O7 P
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-VDXWRNPPSA-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):
(3S)-3β-(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] (3S)-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] (3S)-3-(dimethoxyphosphoryl)-1,2-diazinane-1,2-dicarboxylate
Other name (1):
(3S)-3β-(Dimethoxyphosphinyl)hexahydropyridazine-1,2-dicarboxylic acid bis[(1R,3R,4S)-p-menthane-3-yl] ester
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