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ScientificNameLabel
2-Myristo-2,3-diacetin
PHCD compound ID : 3641
Chemical Names :
2-Myristo-2,3-diacetin
Molecular Formula : C21H38O6
Molecular Weight : 386.266839
More Details :
Names & Synonyms: 2,3-diacetoxypropyl tetradecanoate , tetradecanoic acid 2,3-diacetyloxypropyl ester , 2,3-diacetyloxypropyl tetradecanoate , myristic acid 2,3-diacetoxypropyl ester
Smiles: CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)C)COC(=O)C
InChi : InChI=1S/C21H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(24)26-17-20(27-19(3)23)16-25-18(2)22/h20H,4-17H2,1-3H3/t20-/m0/s1
InChi Key : InChIKey=WPZADTFNTUIQLK-FQEVSTJZSA-N
PubChem ID : 539918
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 6 Ionization potential : 10.355451
Hydrogen bond donor count : 0 Electric dipole moment : 3.083
XLogP : 6.852 VDW volume : 416.60412
Molecular weight : 386.266839 HOMO-LUMO gap : 11.360000
Herb list :
Refrences & Litretures:
  
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
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