Specification
Synonyms
1,2-Distearin-sn-glycerol
IUPAC Name
[(2S)-3-Hydroxy-2-octadecanoyloxypropyl] octadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
InChI Key
UHUSDOQQWJGJQS-QNGWXLTQSA-N
Boiling Point
662.3±22.0 °C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
Monoisotopic Mass
624.56927552
pKa
13.69±0.10(Predicted)
Topological Polar Surface Area
72.8 Ų