CAS 1429-66-9 | 1,3-Dioctanoin | CAS Number 1429-66-9

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1429-66-9 | 1,3-Dioctanoin

CAS No: 1429-66-9 Catalog No: AG003ATR MDL No:

Product Description

Catalog Number:

AG003ATR

Chemical Name:

1,3-Dioctanoin

CAS Number:

1429-66-9

Molecular Formula:

C19H36O5

Molecular Weight:

344.4861

IUPAC Name:

(2-hydroxy-3-octanoyloxypropyl) octanoate

InChI:

InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3

InChI Key:

DMBAVJVECSKEPF-UHFFFAOYSA-N

SMILES:

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)O

UNII:

NEW0U7C3IV

Properties

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.256g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.492g/mol

Monoisotopic Mass:

344.256g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4

Literature

Title	Journal
Drug-excipient complexation in lipid based delivery systems: an investigation of the Tipranavir-1,3-dioctanolyglycerol complex.	Journal of pharmaceutical sciences 20090501
The role of PI 3-kinase in EGF-stimulated jejunal glucose transport.	Canadian journal of physiology and pharmacology 20020101
Separation of glyceride positional isomers by silver ion chromatography.	Journal of chromatography. A 20010720