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208713-62-6 | 2-Oxiraneoctanoic acid, 3-[(2R)-2-hydroxyoctyl]-, methyl ester, (2R,3S)-
CAS No: 208713-62-6 Catalog No: AG002JUB MDL No:
Product Description
Catalog Number:
AG002JUB
Chemical Name:
2-Oxiraneoctanoic acid, 3-[(2R)-2-hydroxyoctyl]-, methyl ester, (2R,3S)-
CAS Number:
208713-62-6
Molecular Formula:
C19H36O4
Molecular Weight:
328.4867
IUPAC Name:
methyl 8-[(2R,3S)-3-[(2R)-2-hydroxyoctyl]oxiran-2-yl]octanoate
InChI:
InChI=1S/C19H36O4/c1-3-4-5-9-12-16(20)15-18-17(23-18)13-10-7-6-8-11-14-19(21)22-2/h16-18,20H,3-15H2,1-2H3/t16-,17-,18+/m1/s1
InChI Key:
JTZNGIXLOGCDSA-KURKYZTESA-N
SMILES:
CCCCCC[C@H](C[C@@H]1O[C@@H]1CCCCCCCC(=O)OC)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
328.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.493g/mol
Monoisotopic Mass:
328.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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