CAS 30742-88-2 | Octadecanoic acid, 10,13-dihydroxy- | CAS Number 30742-88-2

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30742-88-2 | Octadecanoic acid, 10,13-dihydroxy-

CAS No: 30742-88-2 Catalog No: AG00314E MDL No:

Product Description

Catalog Number:

AG00314E

Chemical Name:

Octadecanoic acid, 10,13-dihydroxy-

CAS Number:

30742-88-2

Molecular Formula:

C18H36O4

Molecular Weight:

316.4760

IUPAC Name:

10,13-dihydroxyoctadecanoic acid

InChI:

InChI=1S/C18H36O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)

InChI Key:

NMQSHRONGDFSQZ-UHFFFAOYSA-N

SMILES:

CCCCCC(CCC(CCCCCCCCC(=O)O)O)O

Properties

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.261g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.482g/mol

Monoisotopic Mass:

316.261g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8

Literature

Title	Journal
Myosin-cross-reactive antigen (MCRA) protein from Bifidobacterium breve is a FAD-dependent fatty acid hydratase which has a function in stress protection.	BMC biochemistry 20110101
Two distinct pathways for the formation of hydroxy FA from linoleic acid by lactic acid bacteria.	Lipids 20031201