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Valine (data page)

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Chemical data page
The complete data for Valine ()
General informationChemical formula: C5H11NO2
Molar mass: 117.15 g·mol
Systematic name:
(S)-2-amino-3-methyl-butanoic acid
Abbreviations: V, Val
Synonyms:
none
Database data
SMILES: CC(C)C(N)C(=O)O
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/f/h7H
ATC: N/ACAS: 72-18-4DrugBank: N/AEINECS:
200-773-6
PubChem: 71563 (D), 1182 (L)
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
- Masses of main fragments:
GMD MS Spectrum
Phase behavior
Solid properties
ρsolid: 1.230 g.cm
Tm: 315 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/AMain hazards:- N/ANFPA 704Flash point- N/ARTECS number:
N/A
Chemical properties
XLogP: -2.193pI: 5.96pKa: 2.27, 9.52Tautomers: Hydrogen bond: donor - 2;  acceptor - 3
Pharmacological properties
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References

  1. ^a 200-773-6 EINECS for Valine
  2. ^a CID 71563 from PubChem
  3. ^a CID 1182 from PubChem
Encoded (proteinogenic) amino acids
General topics
Unspecified L-amino acid
By properties
Aliphatic
Aromatic
Polar, uncharged
Positive charge (pKa)
Negative charge (pKa)
Category: