Chem
J-GLOBAL ID:200907050423357409   Nikkaji number:J607.204F

2β-[(E)-2-Methyl-3-[1-(4-nitrophenyl)-5-amino-1H-1,2,4-triazol-3-yl]-2-propenyl]-5β-[[3α-[(1S,2S)-1-methyl-2-hydroxypropyl]oxiran-2β-yl]methyl]tetrahydro-2H-pyran-3α,4α-diol

2β-[(E)-2-メチル-3-[1-(4-ニトロフェニル)-5-アミノ-1H-1,2,4-トリアゾール-3-イル]-2-プロペニル]-5β-[[3α-[(1S,2S)-1-メチル-2-ヒドロキシプロピル]オキシラン-2β-イル]メチル]テトラヒドロ-2H-ピラン-3α,4α-ジオール
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: C24H33N4[N+]O6[O-]
Molecular formula furigana: C24-H33-N5-O7
Molecular weight: 503.556
InChI: InChI=1S/C24H33N5O7/c1-12(9-20-26-24(25)28(27-20)16-4-6-17(7-5-16)29(33)34)8-18-22(32)21(31)15(11-35-18)10-19-23(36-19)13(2)14(3)30/h4-7,9,13-15,18-19,21-23,30-32H,8,10-11H2,1-3H3,(H2,25,26,27)/b12-9+/t13-,14-,15-,18-,19-,21+,22-,23-/m0/s1
InChI key: LIBUPCOPGXGFIB-MNXQGCJHSA-N
SMILES: C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C/C(=C/c2nc(N)n(n2)c2ccc(cc2)[N+](=O)[O-])/C)[C@H](O)[C@@H]1O
Systematic name  (3):
  • 2β-[(E)-2-メチル-3-[1-(4-ニトロフェニル)-5-アミノ-1H-1,2,4-トリアゾール-3-イル]-2-プロペニル]-5β-[[3α-[(1S,2S)-1-メチル-2-ヒドロキシプロピル]オキシラン-2β-イル]メチル]テトラヒドロ-2H-ピラン-3α,4α-ジオール
  • (2S,3R,4R,5S)-2-[(2E)-3-[5-アミノ-1-(4-ニトロフェニル)-1H-1,2,4-トリアゾール-3-イル]-2-メチルプロパ-2-エン-1-イル]-5-{[(2S,3S)-3-[(2S,3S)-3-ヒドロキシブタン-2-イル]オキシラン-2-イル]メチル}オキサン-3,4-ジオール
  • (2S,3R,4R,5S)-2-[(2E)-3-[5-amino-1-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]-2-methylprop-2-en-1-yl]-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxane-3,4-diol
Other name (1):
  • 2β-[(E)-2-Methyl-3-[1-(4-nitrophenyl)-5-amino-1H-1,2,4-triazol-3-yl]-2-propenyl]-5β-[[3α-[(1S,2S)-1-methyl-2-hydroxypropyl]oxiran-2β-yl]methyl]tetrahydro-2H-pyran-3α,4α-diol
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