7770-09-4
1,3-DIMYRISTIN
Name
1,3-DIMYRISTIN
Formula
C31 H60 O5
MolWeight
512.81
1Identification
【Name】
1,3-DIMYRISTIN
【CAS】
【MDL】
MFCD00048455
【English Synonyms】
【Formula】
C31 H60 O5
【MolWeight】
512.81
【Inchi】
InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3
【InChIKey】
InChIKey=JADYBWICRJWGBW-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
1,3-DIMYRISTIN.cml
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