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ScientificNameLabel
Calystegines
PHCD compound ID : 5229
Chemical Names :
Calystegines
Molecular Formula : C8H15N1O3
Molecular Weight : 173.105193
More Details :
Names & Synonyms: 8-aminobicyclo[3.2.1]octane-1,2,3-triol , 8-azanylbicyclo[3.2.1]octane-1,2,3-triol
Smiles: O[C@@H]1C[C@H]2CC[C@@]([C@H]1O)([C@H]2N)O
InChi : InChI=1S/C8H15NO3/c9-6-4-1-2-8(6,12)7(11)5(10)3-4/h4-7,10-12H,1-3,9H2/t4-,5-,6+,7+,8+/m1/s1
InChi Key : InChIKey=YZPAVTVEJWCWQB-HEIBUPTGSA-N
PubChem ID : 44343890
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.307053
Hydrogen bond donor count : 4 Electric dipole moment : 2.599
XLogP : -0.378 VDW volume : 159.578859
Molecular weight : 173.105193 HOMO-LUMO gap : 11.576000
Herb list :
Refrences & Litretures:
  
828.      Journal:'UK Journal of Pharmaceutical and Biosciences'      Year:'2015'      Volume:'3'      Page:'15'      DOI:''      Title:'Comprehensive Report on Phytochemistry and Pharmacological Prominence of Withania somnifera'
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