Skip Navigation Links
ScientificNameLabel
adenosine
PHCD compound ID : 714
Chemical Names :
adenosine
Molecular Formula : C10H13N5O4
Molecular Weight : 267.096754
More Details :
Names & Synonyms: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol , (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol , (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChi : InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChi Key : InChIKey=OIRDTQYFTABQOQ-KQYNXXCUSA-N
PubChem ID : 60961
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.155758
Hydrogen bond donor count : 4 Electric dipole moment : 3.855
XLogP : -2.367 VDW volume : 202.245802
Molecular weight : 267.096754 HOMO-LUMO gap : 8.483000
Herb list :
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'
119.      Journal:'World Appl. Sci. J'      Year:'2011'      Volume:'17'      Page:'67'      DOI:''      Title:'GC-MS Analysis of Various Extracts from Leaf of Plantago major Used as Traditional Medicine'
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'
277.      Journal:'Drug Discoveries & Therapeutics'      Year:'2015'      Volume:'9'      Page:'23'      DOI:'10.5582/ddt.2015.01004'      Title:'Chemical constituents and bioactivities of Panax ginseng (C. A. Mey.)'
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
614.      Journal:'Phytochemistry'      Year:'2003'      Volume:'63'      Page:'795'      DOI:'10.1016/S0031-9422(03)00333-9'      Title:'Antioxidative polyphenols from walnuts (Juglans regia L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us