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60514-48-9 | (S)-3-Hydroxypropane-1,2-diyl dioctanoate
CAS No: 60514-48-9 Catalog No: AG003UA3 MDL No:MFCD00036835
Product Description
Catalog Number:
AG003UA3
Chemical Name:
(S)-3-Hydroxypropane-1,2-diyl dioctanoate
CAS Number:
60514-48-9
Molecular Formula:
C19H36O5
Molecular Weight:
344.4861
MDL Number:
MFCD00036835
IUPAC Name:
[(2S)-3-hydroxy-2-octanoyloxypropyl] octanoate
InChI:
InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
InChI Key:
ZQBULZYTDGUSSK-KRWDZBQOSA-N
SMILES:
CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)CO
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
344.256g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.492g/mol
Monoisotopic Mass:
344.256g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
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