93963-94-1 Purity
96%
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The molecular formula is C42H76O9.
The synonyms include EINECS 300-843-7 and 93963-97-4.
It was first created on August 20, 2009.
The molecular weight is 725.0 g/mol.
The IUPAC name is [(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxyethyl]oxolan-3-yl] (Z,12R)-12-hydroxyoctadec-9-enoate.
The InChI is InChI=1S/C42H76O9/c1-3-5-7-21-27-35(44)29-23-17-13-9-11-15-19-25-31-39(47)50-38(33-43)42-41(37(46)34-49-42)51-40(48)32-26-20-16-12-10-14-18-24-30-36(45)28-22-8-6-4-2/h17-18,23-24,35-38,41-46H,3-16,19-22,25-34H2,1-2H3/b23-17-,24-18-/t35-,36-,37+,38-,41-,42-/m1/s1.
The XLogP3-AA value is 10.4.
There are 4 hydrogen bond donors.
The topological polar surface area is 143 Å2.
There are 2 defined bond stereocenter counts.