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ScientificNameLabel
3-Hydroxy-6-acetoxytropane
PHCD compound ID : 1961
Chemical Names :
3-Hydroxy-6-acetoxytropane
Molecular Formula : C10H17N1O3
Molecular Weight : 199.120843
More Details :
Names & Synonyms: (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate , acetic acid (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) ester , (8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octan-6-yl) ethanoate
Smiles: O[C@@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)OC(=O)C
InChi : InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8+,9+,10-/m0/s1
InChi Key : InChIKey=AEVQETQLKSVJET-JLIMGVALSA-N
PubChem ID : 14413733
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.073026
Hydrogen bond donor count : 1 Electric dipole moment : 4.573
XLogP : 0.187 VDW volume : 191.534369
Molecular weight : 199.120843 HOMO-LUMO gap : 10.075000
Herb list :
Refrences & Litretures:
  
232.      Journal:'Zeitschrift fur Naturforschung C'      Year:'2003'      Volume:'58'      Page:'42'      DOI:''      Title:'Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium'
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