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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (3R)-3-hydroxy-N-sulfooxy-pent-4-enimidothioate , (3R)-3-hydroxy-N-sulfooxy-4-pentenimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester , [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate , [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (3R)-3-oxidanyl-N-sulfooxy-pent-4-enimidothioate , (3R)-3-hydroxy-N-sulfoxy-pent-4-enimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
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| Smiles: |
C=C[C@@H](C/C(=N\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
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| InChi : |
InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+/t5-,6+,8+,9-,10+,11-/m0/s1
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| InChi Key : |
InChIKey=MYHSVHWQEVDFQT-INZKYMGHSA-N
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| PubChem ID : |
5281139
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| Rotatable bond count : |
8
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
9.317659
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
3.325
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| XLogP : |
-2.646
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VDW volume : |
317.099989
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| Molecular weight : |
389.045038
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HOMO-LUMO gap : |
8.290000
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| Herb list : |
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| Refrences & Litretures: |
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