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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexanecarboxylic acid , (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid , (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid , (1S,3R,4R,5R)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid , (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-cyclohexanecarboxylic acid
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| Smiles: |
O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(cc1)O
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| InChi : |
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1
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| InChi Key : |
InChIKey=BMRSEYFENKXDIS-OTCYKTEZSA-N
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| PubChem ID : |
6441280
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
9.323508
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
3.807
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| XLogP : |
-0.837
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VDW volume : |
304.182357
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| Molecular weight : |
338.100168
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HOMO-LUMO gap : |
8.434000
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| Herb list : |
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| Refrences & Litretures: |
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