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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[2-hydroxy-1-(hydroxymethyl)ethyl] (9Z,12Z)-octadeca-9,12-dienoate , (9Z,12Z)-octadeca-9,12-dienoic acid 1,3-dihydroxypropan-2-yl ester , 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate , 1,3-bis(oxidanyl)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate , (9Z,12Z)-octadeca-9,12-dienoic acid (2-hydroxy-1-methylol-ethyl) ester
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| Smiles: |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO
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| InChi : |
InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-
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| InChi Key : |
InChIKey=IEPGNWMPIFDNSD-HZJYTTRNSA-N
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| PubChem ID : |
5365676
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| Rotatable bond count : |
18
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
4
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Ionization potential : |
9.604182
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
4.651
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| XLogP : |
6.805
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VDW volume : |
399.023667
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| Molecular weight : |
354.27701
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HOMO-LUMO gap : |
10.553000
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| Herb list : |
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| Refrences & Litretures: |
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