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ScientificNameLabel
3-Acetoxy-6-hydroxytropane
PHCD compound ID : 1962
Chemical Names :
3-Acetoxy-6-hydroxytropane
Molecular Formula : C10H17N1O3
Molecular Weight : 199.120843
More Details :
Names & Synonyms: (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate , acetic acid (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester , (8-methyl-6-oxidanyl-8-azabicyclo[3.2.1]octan-3-yl) ethanoate
Smiles: CC(=O)O[C@@H]1C[C@H]2C[C@H]([C@@H](C1)N2C)O
InChi : InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChi Key : InChIKey=IQJHMKLTWPJIHO-SGIHWFKDSA-N
PubChem ID : 565059
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.138228
Hydrogen bond donor count : 1 Electric dipole moment : 2.282
XLogP : 0.187 VDW volume : 191.534369
Molecular weight : 199.120843 HOMO-LUMO gap : 10.500000
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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