Chem
J-GLOBAL ID:200907048217421023   Nikkaji number:J1.444.991D

(1S,1α,4α)-3-[[(4R)-4α,5β-Dimethyl-1,3,2-dioxaphospholane 2-oxide]-2-yl]-2-oxa-3-azabicyclo[2.2.2]octa-5-ene

(1S,1α,4α)-3-[[(4R)-4α,5β-ジメチル-1,3,2-ジオキサホスホラン2-オキシド]-2-イル]-2-オキサ-3-アザビシクロ[2.2.2]オクタ-5-エン
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: C10H16NO3[O-][P+]
Molecular formula furigana: C10-H16-N-O4-P
Molecular weight: 245.215
InChI: InChI=1S/C10H16NO4P/c1-7-8(2)15-16(12,14-7)11-9-3-5-10(13-11)6-4-9/h3,5,7-10H,4,6H2,1-2H3/t7-,8-,9+,10-/m1/s1
InChI key: WQMXZCBBRFUSLM-DOLQZWNJSA-N
SMILES: C[C@H]1O[P+]([O-])(O[C@@H]1C)N1O[C@H]2CC[C@@H]1C=C2
Systematic name  (3):
  • (1S,1α,4α)-3-[[(4R)-4α,5β-ジメチル-1,3,2-ジオキサホスホラン2-オキシド]-2-イル]-2-オキサ-3-アザビシクロ[2.2.2]オクタ-5-エン
  • (4R,5R)-4,5-ジメチル-2-[(1S,4R)-2-オキサ-3-アザビシクロ[2.2.2]オクタ-5-エン-3-イル]-1,3,2-ジオキサホスホラン-2-イウム-2-オラート
  • (4R,5R)-4,5-dimethyl-2-[(1S,4R)-2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl]-1,3,2-dioxaphospholan-2-ium-2-olate
Other name (1):
  • (1S,1α,4α)-3-[[(4R)-4α,5β-Dimethyl-1,3,2-dioxaphospholane 2-oxide]-2-yl]-2-oxa-3-azabicyclo[2.2.2]octa-5-ene
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