Isoleucine (data page)

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The complete data for Isoleucine

Image:Hight_setter_449px.gifChemical structure of IsoleucineChemical structure of Isoleucine		 General information

Chemical formula: C6H13NO2 
Molar mass: 131.18 [1] 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 [1]
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 [1]
 ATC: N/A  CAS: 73-32-5  DrugBank: N/A  EINECS: 200-798-2 [1]  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
 R/S statement
R: N/A
S: N/A
 RTECS number:
N/A
Chemical properties
XLogP: -1.743 [1] pI: 6.02 pKa: 2.26; 9.60 Tautomers: ? Hydrogen bond: donor - 2 [1];   acceptor - 3 [1];
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


[edit] References

  1. a  b  c  d  e  f  g  PubChem 6306
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