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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]sulfanylhex-5-enylideneamino] sulfate , [(Z)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]hex-5-enylideneamino] sulfate , [(Z)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhex-5-enylideneamino] sulfate , [(Z)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylhex-5-enylideneamino] sulfate , [(Z)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]hex-5-enylideneamino] sulfate
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| Smiles: |
C=CCCC/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/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/p-1/b13-8-/t7-,9-,10+,11-,12+/m1/s1
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| InChi Key : |
InChIKey=XMJFVIGTHMOGNZ-AHMUMSBHSA-M
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| PubChem ID : |
20843343
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| Rotatable bond count : |
9
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
5.936089
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
9.262
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| XLogP : |
-0.891
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VDW volume : |
324.287517
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| Molecular weight : |
386.057948
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HOMO-LUMO gap : |
8.354000
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| Herb list : |
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| Refrences & Litretures: |
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