Chem
J-GLOBAL ID:200907016368455257   Nikkaji number:J1.994.314C

Methylphosphonic acid (1S)-2α-(phenethylamino)-4α,6β-bis(benzyloxy)cyclohexane-1β-yl ester

メチルホスホン酸(1S)-2α-(フェネチルアミノ)-4α,6β-ビス(ベンジルオキシ)シクロヘキサン-1β-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: C29H36NO5P
Molecular formula furigana: C29-H36-N-O5-P
Molecular weight: 509.583
InChI: InChI=1S/C29H36NO5P/c1-36(31,32)35-29-27(30-18-17-23-11-5-2-6-12-23)19-26(33-21-24-13-7-3-8-14-24)20-28(29)34-22-25-15-9-4-10-16-25/h2-16,26-30H,17-22H2,1H3,(H,31,32)/t26-,27+,28+,29-/m0/s1
InChI key: FZDQCXKUZKZKFG-AUAHOFGGSA-N
SMILES: CP(=O)(O)O[C@H]1[C@@H](C[C@@H](C[C@H]1OCc1ccccc1)OCc1ccccc1)NCCc1ccccc1
Systematic name  (3):
  • メチルホスホン酸(1S)-2α-(フェネチルアミノ)-4α,6β-ビス(ベンジルオキシ)シクロヘキサン-1β-イル
  • {[(1S,2R,4S,6R)-2,4-ビス(ベンジルオキシ)-6-[(2-フェニルエチル)アミノ]シクロヘキシル]オキシ}(メチル)ホスフィン酸
  • {[(1S,2R,4S,6R)-2,4-bis(benzyloxy)-6-[(2-phenylethyl)amino]cyclohexyl]oxy}(methyl)phosphinic acid
Other name (1):
  • Methylphosphonic acid (1S)-2α-(phenethylamino)-4α,6β-bis(benzyloxy)cyclohexane-1β-yl ester
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