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ScientificNameLabel
D-Alloisoleucine
PHCD compound ID : 2604
Chemical Names :
D-Alloisoleucine
Molecular Formula : C6H13N1O2
Molecular Weight : 131.094629
More Details :
Names & Synonyms: (2R,3S)-2-amino-3-methyl-pentanoic acid , (2R,3S)-2-amino-3-methylpentanoic acid , (2R,3S)-2-azanyl-3-methyl-pentanoic acid , (2R,3S)-2-amino-3-methyl-valeric acid
Smiles: CC[C@@H]([C@H](C(=O)O)N)C
InChi : InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
InChi Key : InChIKey=AGPKZVBTJJNPAG-CRCLSJGQSA-N
PubChem ID : 94206
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.813528
Hydrogen bond donor count : 2 Electric dipole moment : 2.974
XLogP : -1.6 VDW volume : 138.273121
Molecular weight : 131.094629 HOMO-LUMO gap : 10.706000
Herb list :
Refrences & Litretures:
  
303.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'557'      DOI:''      Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
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