Chem
J-GLOBAL ID：200907002303958773
Nikkaji number：J2.277.755F
(4S)-2α-(2-Methoxy-2,4-cyclopentadienyl)-3,4β-dimethyl-5β-phenyl-2,3,4,5-tetrahydro-1,3,2-oxazaphosphole 2-oxide
(2R,4S,5R)-2-(2-メトキシシクロペンタ-2,4-ジエン-1-イル)-3,4-ジメチル-5-フェニル-1,3,2-オキサザホスホリジン-2-イウム-2-オラート
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
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
Molecular formula： C16H20NO2[O-][P+]
Molecular formula furigana： C16-H20-N-O3-P
Molecular weight： 305.314
InChI：
InChI=1S/C16H20NO3P/c1-12-16(13-8-5-4-6-9-13)20-21(18,17(12)2)15-11-7-10-14(15)19-3/h4-12,15-16H,1-3H3/t12-,15?,16-,21+/m0/s1
InChI key：
JKUAJAGWCHMNID-KSWNMSNKSA-N
SMILES：
COC1=CC=CC1[P@@+]1([O-])O[C@@H]([C@H](C)N1C)c1ccccc1
Systematic name (3)：
- (4S)-2α-(2-メトキシ-2,4-シクロペンタジエニル)-3,4β-ジメチル-5β-フェニル-2,3,4,5-テトラヒドロ-1,3,2-オキサザホスホール2-オキシド
- (2R,4S,5R)-2-(2-メトキシシクロペンタ-2,4-ジエン-1-イル)-3,4-ジメチル-5-フェニル-1,3,2-オキサザホスホリジン-2-イウム-2-オラート
- (2R,4S,5R)-2-(2-methoxycyclopenta-2,4-dien-1-yl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidin-2-ium-2-olate
- (4S)-2α-(2-Methoxy-2,4-cyclopentadienyl)-3,4β-dimethyl-5β-phenyl-2,3,4,5-tetrahydro-1,3,2-oxazaphosphole 2-oxide
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