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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxy-cyclohexanecarboxylic acid , 1-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3,4,5-trihydroxy-1-cyclohexanecarboxylic acid , 1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid , 1-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid , 1-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-3,4,5-trihydroxy-cyclohexanecarboxylic acid
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| Smiles: |
O=C(O[C@@]1(C[C@H](O)[C@H]([C@H](C1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
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| InChi : |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14-,16-/m0/s1
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| InChi Key : |
InChIKey=GWTUHAXUUFROTF-ZZVAFGPTSA-N
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| PubChem ID : |
6451212
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| Rotatable bond count : |
5
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
9
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Ionization potential : |
9.128216
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
6.409
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| XLogP : |
-0.271
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VDW volume : |
312.972583
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| Molecular weight : |
354.095082
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HOMO-LUMO gap : |
8.250000
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| Herb list : |
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| Refrences & Litretures: |
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