Chem
J-GLOBAL ID:200907051765178600   Nikkaji number:J2.065.594A

(4R,5R)-2,2-Dimethyl-4-(1-methyl-1-nitro-2-hydroxyethyl)-1,3-dioxane-5-carbamic acid tert-butyl ester

(4R,5R)-2,2-ジメチル-4-(1-メチル-1-ニトロ-2-ヒドロキシエチル)-1,3-ジオキサン-5-カルバミド酸tert-ブチル
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: C14H26N[N+]O6[O-]
Molecular formula furigana: C14-H26-N2-O7
Molecular weight: 334.369
InChI: InChI=1S/C14H26N2O7/c1-12(2,3)23-11(18)15-9-7-21-13(4,5)22-10(9)14(6,8-17)16(19)20/h9-10,17H,7-8H2,1-6H3,(H,15,18)/t9-,10-,14?/m1/s1
InChI key: XKMRIKYRKWKIHR-QYFJWPRKSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)O[C@H]1C(C)(CO)[N+](=O)[O-]
Systematic name  (3):
  • (4R,5R)-2,2-ジメチル-4-(1-メチル-1-ニトロ-2-ヒドロキシエチル)-1,3-ジオキサン-5-カルバミド酸tert-ブチル
  • tert-ブチル N-[(4R,5R)-4-(1-ヒドロキシ-2-ニトロプロパン-2-イル)-2,2-ジメチル-1,3-ジオキサン-5-イル]カルバマート
  • tert-butyl N-[(4R,5R)-4-(1-hydroxy-2-nitropropan-2-yl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
Other name (1):
  • (4R,5R)-2,2-Dimethyl-4-(1-methyl-1-nitro-2-hydroxyethyl)-1,3-dioxane-5-carbamic acid tert-butyl ester
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