54392-27-7
SORBITAN, TRIISOOCTADECANOATE
Name
SORBITAN, TRIISOOCTADECANOATE
Formula
C60 H114 O8
MolWeight
963.553
1Identification
【Name】
SORBITAN, TRIISOOCTADECANOATE
【CAS】
【MDL】
MFCD09970995
【English Synonyms】
【Formula】
C60 H114 O8
【MolWeight】
963.553
【Inchi】
InChI=1S/C60H114O8/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-56(62)65-49-54(61)59-60(68-58(64)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6)55(50-66-59)67-57(63)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4/h51-55,59-61H,7-50H2,1-6H3/t54-,55+,59-,60-/m1/s1
【InChIKey】
InChIKey=WBKLLVHQDZJJGW-LLPUSWRMSA-N
【SMILES】
CC(C)CCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:22.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SORBITAN, TRIISOOCTADECANOATE.cml
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