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ScientificNameLabel
D(+)-Aloze
PHCD compound ID : 5403
Chemical Names :
D(+)-Aloze
Molecular Formula : C6H12O6
Molecular Weight : 180.063388
More Details :
Names & Synonyms: (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal , (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal , (2R,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal
Smiles: OC[C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O
InChi : InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
InChi Key : InChIKey=GZCGUPFRVQAUEE-BGPJRJDNSA-N
PubChem ID : 102288
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.519435
Hydrogen bond donor count : 5 Electric dipole moment : 1.236
XLogP : -3.325 VDW volume : 162.437268
Molecular weight : 180.063388 HOMO-LUMO gap : 10.478000
Herb list :
Refrences & Litretures:
  
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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