(2S,3R)-2-Hydroxy-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-(4-Nitrophenyl)Butanoic Acid
[CAS# 112898-24-5]

Identification

• Name: (2S,3R)-2-Hydroxy-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-(4-Nitrophenyl)Butanoic Acid
• Synonyms: (2S,3R)-3-(Boc-amino)-2-hydroxy-4-(4-nitrophenyl)butyric acid; (2S,3R)-3-(BOC-AMINO)-2-HYDROXY-4-(4-NITROPHENYL)BUTYRICACID
• Molecular Formula: C₁₅H₂₀N₂O₇
• Molecular Weight: 340.33
• CAS Registry Number: 112898-24-5
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)[N+](=O)[O-])[C@@H](C(=O)O)O
• InChI: 1S/C15H20N2O7/c1-15(2,3)24-14(21)16-11(12(18)13(19)20)8-9-4-6-10(7-5-9)17(22)23/h4-7,11-12,18H,8H2,1-3H3,(H,16,21)(H,19,20)/t11-,12+/m1/s1
• InChIKey: RSNWSFSGQPYINB-NEPJUHHUSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 579.837°C at 760 mmHg (Cal.)
• Flash point: 304.474°C (Cal.)
• Refractive index: 1.566 (Cal.)