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89357-01-7 | 7,16,18-Hentriacontanetrione, 28-hydroxy-, (S)-
CAS No: 89357-01-7 Catalog No: AG003XR3 MDL No:
Product Description
Catalog Number:
AG003XR3
Chemical Name:
7,16,18-Hentriacontanetrione, 28-hydroxy-, (S)-
CAS Number:
89357-01-7
Molecular Formula:
C31H58O4
Molecular Weight:
494.7898
IUPAC Name:
28-hydroxyhentriacontane-7,16,18-trione
InChI:
InChI=1S/C31H58O4/c1-3-5-6-16-23-29(33)24-18-13-10-11-15-20-26-31(35)27-30(34)25-19-14-9-7-8-12-17-22-28(32)21-4-2/h28,32H,3-27H2,1-2H3
InChI Key:
KAXYOHHRDIOHRY-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)CCCCCCCCC(=O)CC(=O)CCCCCCCCC[C@H](CCC)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.434g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
494.801g/mol
Monoisotopic Mass:
494.434g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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