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ScientificNameLabel
Sucrose
PHCD compound ID : 1669
Chemical Names :
Sucrose , saccharose
Molecular Formula : C12H22O11
Molecular Weight : 342.116212
More Details :
Names & Synonyms: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChi Key : InChIKey=CZMRCDWAGMRECN-UGDNZRGBSA-N
PubChem ID : 5988
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 10.276689
Hydrogen bond donor count : 8 Electric dipole moment : 3.196
XLogP : -3.277 VDW volume : 288.087851
Molecular weight : 342.116212 HOMO-LUMO gap : 10.977000
Herb list :
Refrences & Litretures:
  
188.      Journal:'Journal of Pharmaceutical and Biomedical Analysis'      Year:'2013'      Volume:'75'      Page:'158'      DOI:'10.1016/j.jpba.2012.11.023'      Title:'Metabolomic pro?ling of the antitussive and expectorant plant Tussilago farfara L. by nuclear magnetic resonance spectroscopy and multivariate data analysis'
193.      Journal:'Journal of Chinese Pharmaceutical Sciences'      Year:'2007'      Volume:'16'      Page:'288'      DOI:'1003–1057(2007)4–288–06'      Title:'Chemical constituents of the flower buds of Tussilago farfara'
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
295.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'140'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF Alhagi pseudalhagi'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
747.      Journal:'Plant Physiol'      Year:'1991'      Volume:'96'      Page:'1228'      DOI:''      Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
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