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ribitol
ScientificNameLabel
ribitol
PHCD compound ID :
700
Chemical Names :
ribitol
Molecular Formula :
C5H12O5
Molecular Weight :
152.068473
More Details :
Names & Synonyms:
(2S,4R)-pentane-1,2,3,4,5-pentol
Smiles:
OC[C@H]([C@H]([C@H](CO)O)O)O
InChi :
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
InChi Key :
InChIKey=HEBKCHPVOIAQTA-ZXFHETKHSA-N
PubChem ID :
6912
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
10.367827
Hydrogen bond donor count :
5
Electric dipole moment :
3.367
XLogP :
-3.224
VDW volume :
138.987515
Molecular weight :
152.068473
HOMO-LUMO gap :
11.755000
Herb list :
Wheat - Triticum aestivum - گندم
Refrences & Litretures:
46. Journal:'J. Agric. Food Chem' Year:'2006' Volume:'54' Page:'8301' DOI:'10.1021/jf0615451' Title:'Metabolite Profiling of Wheat Grains (Triticum aestivum L.) from Organic and Conventional Agriculture'
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