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ScientificNameLabel
2-Amino-4-hydroxypteridine-6-carboxylic acid
PHCD compound ID : 5121
Chemical Names :
2-Amino-4-hydroxypteridine-6-carboxylic acid
Molecular Formula : C7H5N5O3
Molecular Weight : 207.039239
More Details :
Names & Synonyms: 2-amino-4-oxo-3H-pteridine-6-carboxylic acid , 2-amino-4-oxo-3H-pteridine-6-carboxylic acid , 2-azanyl-4-oxidanylidene-3H-pteridine-6-carboxylic acid , 2-amino-4-keto-3H-pteridine-6-carboxylic acid
Smiles: OC(=O)c1cnc2c(n1)c(=O)[nH]c(n2)N
InChi : InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChi Key : InChIKey=QABAUCFGPWONOG-UHFFFAOYSA-N
PubChem ID : 135403803
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.754963
Hydrogen bond donor count : 3 Electric dipole moment : 6.592
XLogP : -4.532 VDW volume : 159.551163
Molecular weight : 207.039239 HOMO-LUMO gap : 8.102000
Herb list :
Refrences & Litretures:
  
806.      Journal:'Immunopharmacology and Immunotoxicology'      Year:'2012'      Volume:'34'      Page:'205'      DOI:'10.3109/08923973.2011.592534'      Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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