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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
2,5-dimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-furan-3-one , 2,5-dimethyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-furanone , 2,5-dimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-3-one , 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,5-dimethyl-furan-3-one , 2,5-dimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-furan-3-one
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| Smiles: |
OC[C@H]1O[C@@H](OC2=C(C)O[C@@H](C2=O)C)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C12H18O8/c1-4-7(14)11(5(2)18-4)20-12-10(17)9(16)8(15)6(3-13)19-12/h4,6,8-10,12-13,15-17H,3H2,1-2H3/t4-,6-,8-,9+,10-,12+/m1/s1
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| InChi Key : |
InChIKey=ZCBCXLRKTUDKOP-IGIPTLBWSA-N
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| PubChem ID : |
11471809
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| Rotatable bond count : |
3
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
9.320913
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
2.463
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| XLogP : |
-0.705
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VDW volume : |
256.444253
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| Molecular weight : |
290.100168
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HOMO-LUMO gap : |
8.970000
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| Herb list : |
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| Refrences & Litretures: |
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