Name: Name:Undecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester
Brand: Angene
SKU: AG007LB2
Rating: 90 (10 reviews)

Undecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester

CAS No.:

13552-80-2

Catalog Number:

AG007LB2

Molecular Formula:

C36H70O8--

Molecular Weight:

630.9362

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Product Description

Catalog Number:

AG007LB2

Chemical Name:

Undecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester

CAS Number:

13552-80-2

Molecular Formula:

C36H70O8--

Molecular Weight:

630.9362

MDL Number:

MFCD00042869

IUPAC Name:

2,3-di(undecanoyloxy)propyl undecanoate

InChI:

InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3

InChI Key:

MBXVIRZWSHICAV-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)OCC(CO)O

EC Number:

236-935-8

UNII:

ZTT041BJ4O

Properties

Complexity:

584

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

596.502g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

596.934g/mol

Monoisotopic Mass:

596.502g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.8

Literature

Title

Journal

Raman spectroscopy investigation of various saturated monoacid triglycerides.

Chemistry and physics of lipids 20050401

Final report on the safety assessment of trilaurin, triarachidin, tribehenin, tricaprin, tricaprylin, trierucin, triheptanoin, triheptylundecanoin, triisononanoin, triisopalmitin, triisostearin, trilinolein, trimyristin, trioctanoin, triolein, tripalmitin, tripalmitolein, triricinolein, tristearin, triundecanoin, glyceryl triacetyl hydroxystearate, glyceryl triacetyl ricinoleate, and glyceryl stearate diacetate.

International journal of toxicology 20010101

Properties