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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzaldehyde , 4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzaldehyde , 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde , 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxybenzaldehyde , 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzaldehyde
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| Smiles: |
OC[C@H]1O[C@@H](Oc2ccc(cc2)C=O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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| InChi Key : |
InChIKey=OLZAGZCCJJBKNZ-UJPOAAIJSA-N
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| PubChem ID : |
7573800
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| Rotatable bond count : |
4
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
7
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Ionization potential : |
9.664627
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
4.707
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| XLogP : |
-0.957
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VDW volume : |
248.777094
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| Molecular weight : |
284.089603
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HOMO-LUMO gap : |
8.968000
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| Herb list : |
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| Refrences & Litretures: |
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