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ScientificNameLabel
.alpha.-d-Mannofuranoside.isopropyl-
PHCD compound ID : 3723
Chemical Names :
.alpha.-d-Mannofuranoside.isopropyl-
Molecular Formula : C9H18O6
Molecular Weight : 222.110338
More Details :
Names & Synonyms: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-isopropoxy-tetrahydropyran-3,4,5-triol , (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol , (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxy-oxane-3,4,5-triol , (2S,3S,4S,5S,6R)-2-isopropoxy-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@H](OC(C)C)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C9H18O6/c1-4(2)14-9-8(13)7(12)6(11)5(3-10)15-9/h4-13H,3H2,1-2H3/t5-,6-,7+,8+,9+/m1/s1
InChi Key : InChIKey=UOEFDXYUEPHESS-DFTQBPQZSA-N
PubChem ID : 100954261
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.384482
Hydrogen bond donor count : 4 Electric dipole moment : 2.713
XLogP : -0.724 VDW volume : 204.605222
Molecular weight : 222.110338 HOMO-LUMO gap : 11.708000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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