rac 1,2-Bis-palmitol-3-chloropropanediol-d5


Chemical Name: rac 1,2-Bis-palmitol-3-chloropropanediol-d5
CAS Number: 1185057-55-9
Product Number: AG0076AG(AGN-PC-0WAHD1)
Synonyms:
MDL No:
Molecular Formula: C20H32ClD5O4
Molecular Weight: 381.9892

Identification/Properties


Computed Properties
Molecular Weight:
592.398g/mol
XLogP3:
15.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
34
Exact Mass:
591.504g/mol
Monoisotopic Mass:
591.504g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
540
Isotope Atom Count:
5
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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