Isoleucine (data page)

The complete data for Isoleucine ()
	General information Chemical formula: C6H13NO2  Molar mass: 131.18 a g·mol−1 Systematic name: (2S,3S)-2-amino-3-methylpentanoic acid Abbreviations: I, Ile Synonyms: {2/α}-amino-{3/β}-methylvaleric acid 3-methyl-{/erythro-}norvaline Amino-sec-butyl-acetic acid Amino(1-methylpropyl)-acetic acid
Database data
SMILES: CC[C@H](C)[C@@H](C(=O)O)N b InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H c  ATC: N/A  CAS: 73-32-5  DrugBank: N/A  EINECS: 200-798-2 d  PubChem: 6306
Physical properties
Structure Crystal data Spectral data UV-Vis IR NMR MS Phase behavior Solid properties Tm: 284 °C Liquid properties Gas properties
Hazard properties
MSDS N/A Main hazards: - N/A NFPA 704 Flash point - N/A RTECS number: N/A
Chemical properties
XLogP: -1.743 e pI: 6.02 pKa: 2.26; 9.60 Tautomers: Hydrogen bond: donor - 2 f;  acceptor - 3 g
Pharmacological properties

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• Except where noted otherwise, data relate to Standard temperature and pressure.
• Reliability of data general note.

References

1. ^a ^b ^c ^d ^e ^f ^g CID 6306 from PubChem