(2R)-6-Amino-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxopentanoyl]-Phenylamino]-2,3,3-Trinitrohexanoic Acid
[CAS# 123774-73-2]

Identification

• Name: (2R)-6-Amino-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxopentanoyl]-Phenylamino]-2,3,3-Trinitrohexanoic Acid
• Synonyms: (2R)-6-Amino-2-[[(2S)-2-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-Phenyl-Amino]-2,3,3-Trinitro-Hexanoic Acid; (2R)-6-Amino-2-[[(2S)-2-Amino-5-Hydroxy-1,5-Dioxopentyl]-Phenylamino]-2,3,3-Trinitrohexanoic Acid; (4S)-4-Amino-5-[[(1R)-5-Amino-1-Carboxy-1,2,2-Trinitro-Pentyl]-Phenyl-Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₇H₂₂N₆O₁₁
• Molecular Weight: 486.39
• CAS Registry Number: 123774-73-2
• SMILES: [C@@](N(C1=CC=CC=C1)C(=O)[C@@H](N)CCC(=O)O)([N+]([O-])=O)(C([N+]([O-])=O)([N+]([O-])=O)CCCN)C(=O)O
• InChI: 1S/C17H22N6O11/c18-10-4-9-16(21(29)30,22(31)32)17(15(27)28,23(33)34)20(11-5-2-1-3-6-11)14(26)12(19)7-8-13(24)25/h1-3,5-6,12H,4,7-10,18-19H2,(H,24,25)(H,27,28)/t12-,17-/m0/s1
• InChIKey: NLIVJYRNWMZLSY-SJCJKPOMSA-N

Properties

• Density: 1.577g/cm³ (Cal.)
• Boiling point: 610.257°C at 760 mmHg (Cal.)
• Flash point: 322.872°C (Cal.)