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ScientificNameLabel
3,6-Dihydroxytropane
PHCD compound ID : 1942
Chemical Names :
3,6-Dihydroxytropane
Molecular Formula : C8H15N1O2
Molecular Weight : 157.110279
More Details :
Names & Synonyms: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol
Smiles: O[C@H]1C[C@@H]2C[C@H]([C@H](C1)N2C)O
InChi : InChI=1S/C8H15NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5-8,10-11H,2-4H2,1H3/t5-,6+,7+,8-/m1/s1
InChi Key : InChIKey=QWVUOVZJBNQSNS-VGRMVHKJSA-N
PubChem ID : 68871695
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.026302
Hydrogen bond donor count : 2 Electric dipole moment : 3.746
XLogP : -0.553 VDW volume : 150.788632
Molecular weight : 157.110279 HOMO-LUMO gap : 11.654000
Herb list :
Refrences & Litretures:
  
231.      Journal:'Fitoterapia'      Year:'2006'      Volume:'77'      Page:'179'      DOI:'10.1016/j.fitote.2006.01.002'      Title:'Alkaloid patterns in some varieties of Datura stramonium'
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