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ScientificNameLabel
1,3-Di-O-methyl-myo-inositol
PHCD compound ID : 3554
Chemical Names :
1,3-Di-O-methyl-myo-inositol
Molecular Formula : C8H16O6
Molecular Weight : 208.094688
More Details :
Names & Synonyms:
Smiles: CO[C@H]1[C@H](O)[C@H](OC)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C8H16O6/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h3-12H,1-2H3/t3-,4-,5+,6-,7-,8-/m1/s1
InChi Key : InChIKey=MMCIFJWGSIWJLP-YAQXLYFDSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.144875
Hydrogen bond donor count : 4 Electric dipole moment : 1.316
XLogP : -2.136 VDW volume : 187.309237
Molecular weight : 208.094688 HOMO-LUMO gap : 11.862000
Herb list :
Refrences & Litretures:
  
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
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