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14133-72-3 | Octadecanoic acid, 9-(acetyloxy)-10-hydroxy-, (R*,S*)- (9CI)
CAS No: 14133-72-3 Catalog No: AG001G8I MDL No:
Product Description
Catalog Number:
AG001G8I
Chemical Name:
Octadecanoic acid, 9-(acetyloxy)-10-hydroxy-, (R*,S*)- (9CI)
CAS Number:
14133-72-3
Molecular Formula:
C20H38O5
Molecular Weight:
358.5127
IUPAC Name:
(9R,10S)-9-acetyloxy-10-hydroxyoctadecanoic acid
InChI:
InChI=1S/C20H38O5/c1-3-4-5-6-8-11-14-18(22)19(25-17(2)21)15-12-9-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)/t18-,19+/m0/s1
InChI Key:
PEHFQVGCCUZNMA-RBUKOAKNSA-N
SMILES:
CCCCCCCC[C@@H]([C@H](OC(=O)C)CCCCCCCC(=O)O)O
EC Number:
237-985-3
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
358.272g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.519g/mol
Monoisotopic Mass:
358.272g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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