Skip Navigation Links
ScientificNameLabel
Folates
PHCD compound ID : 731
Chemical Names :
folic acid , Folates
Molecular Formula : C19H19N7O6
Molecular Weight : 441.139681
More Details :
Names & Synonyms: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid , (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid , (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid , (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N
InChi : InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
InChi Key : InChIKey=OVBPIULPVIDEAO-LBPRGKRZSA-N
PubChem ID : 6037
Rotatable bond count : 10 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 8.986112
Hydrogen bond donor count : 6 Electric dipole moment : 9.406
XLogP : -3.972 VDW volume : 379.028426
Molecular weight : 441.139681 HOMO-LUMO gap : 7.503000
Herb list :
Refrences & Litretures:
  
48.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'1375'      DOI:'10.1021/jf035218u'      Title:'The Composition of Grain and Forage from Glyphosate Tolerant Wheat MON 71800 Is Equivalent to That of Conventional Wheat (Triticum aestivum L.)'
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'
758.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'813'      DOI:'10.1007/s10600-010-9754-7'      Title:'CHEMICAL CHARACTERISTICS OF THE SEED OF IRANIAN ENDEMIC PLANT Kelussia odoratissima'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us