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ScientificNameLabel
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8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol; (1S*,2R*,3S*,6S*)-
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| PHCD compound ID : |
5679
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| Chemical Names : |
8-Azabicyclo[3.2.1] octane-1,2,3,6-tetrol; (1S*,2R*,3S*,6S*)- , 8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol; (1S*,2R*,3S*,6S*)-
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| Molecular Formula : |
C7H13N1O4
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| Molecular Weight : |
175.084458
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More Details :
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| Names & Synonyms: |
(1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol , (1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol
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| Smiles: |
O[C@@H]1C[C@@]2(N[C@H]1C[C@H]([C@@H]2O)O)O
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| InChi : |
InChI=1S/C7H13NO4/c9-4-1-3-5(10)2-7(12,8-3)6(4)11/h3-6,8-12H,1-2H2/t3-,4+,5+,6-,7+/m0/s1
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| InChi Key : |
InChIKey=BQFFLYRIKODYEN-CXNFULCWSA-N
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| PubChem ID : |
164245
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
9.846150
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
2.904
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| XLogP : |
-0.684
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VDW volume : |
151.073101
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| Molecular weight : |
175.084458
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HOMO-LUMO gap : |
11.855000
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| Herb list : |
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