51938-44-4
SORBITAN, OCTADECANOATE (2:3)
Name
SORBITAN, OCTADECANOATE (2:3)
Formula
C42 H80 O7 . C24 H46 O6
MolWeight
1127.71
1Identification
【Name】
SORBITAN, OCTADECANOATE (2:3)
【CAS】
【MDL】
MFCD09970867
【English Synonyms】
【Formula】
C42 H80 O7 . C24 H46 O6
【MolWeight】
1127.71
【Inchi】
InChI=1S/C42H80O7.C24H46O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)47-36-38(42-41(46)37(43)35-48-42)49-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h37-38,41-43,46H,3-36H2,1-2H3;20-21,23-26,28H,2-19H2,1H3/t37-,38+,41+,42+;20-,21+,23+,24+/m00/s1
【InChIKey】
InChIKey=JNIPZKBDQGBIBQ-VTKBVUKLSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O.CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)OC(=O)CCCCCCCCCCCCCCCCC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:14.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SORBITAN, OCTADECANOATE (2:3).cml
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