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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanylpent-4-enylideneamino] sulfate , [(Z)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]pent-4-enylideneamino] sulfate , [(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylideneamino] sulfate , [(Z)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylpent-4-enylideneamino] sulfate , [(Z)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]pent-4-enylideneamino] sulfate
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| Smiles: |
C=CCC/C(=N/OS(=O)(=O)[O-])/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
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| InChi : |
InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/p-1/b12-7-/t6-,8-,9+,10-,11+/m1/s1
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| InChi Key : |
InChIKey=PLYQBXHVYUJNQB-IIPHORNXSA-M
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| PubChem ID : |
20843338
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| Rotatable bond count : |
8
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
5.962976
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
8.747
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| XLogP : |
-1.46
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VDW volume : |
306.991533
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| Molecular weight : |
372.042298
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HOMO-LUMO gap : |
8.358000
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| Herb list : |
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| Refrences & Litretures: |
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