2-Hydroxypropane-1,3-diyl didocosanoate

CAS

94201-62-4

Catalog Number

ACM94201624

Category

Other Products

Molecular Weight

737.23038

Molecular Formula

C₄₇H₉₂O₅

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

UNII-84T2X52XS0, EINECS 303-650-6, CID9810617, 2-Hydroxypropane-1,3-diyl didocosanoate, (3-docosanoyloxy-2-hydroxy-propyl) Docosanoate, Docosanoic acid, 1,1-(2-hydroxy-1,3-propanediyl) ester, 94201-62-4

IUPAC Name

(3-docosanoyloxy-2-hydroxypropyl) docosanoate

Canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)O

InChI Key

GYNODFLZPXTEPN-UHFFFAOYSA-N

Density

0.911g/cm³

EC Number

303-650-6

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-Hydroxypropane-1,3-diyl didocosanoate?

The molecular formula is C47H92O5.

What is the molecular weight of 2-Hydroxypropane-1,3-diyl didocosanoate?

The molecular weight is 737.2 g/mol.

What is the IUPAC name of 2-Hydroxypropane-1,3-diyl didocosanoate?

The IUPAC name is (3-docosanoyloxy-2-hydroxypropyl) docosanoate.

What is the InChI of 2-Hydroxypropane-1,3-diyl didocosanoate?

The InChI is InChI=1S/C47H92O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45,48H,3-44H2,1-2H3.

What is the InChIKey of 2-Hydroxypropane-1,3-diyl didocosanoate?

The InChIKey is GYNODFLZPXTEPN-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Hydroxypropane-1,3-diyl didocosanoate?

The canonical SMILES is CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)O.

What is the CAS number of 2-Hydroxypropane-1,3-diyl didocosanoate?

The CAS number is 94201-62-4.

What is the European Community (EC) number of 2-Hydroxypropane-1,3-diyl didocosanoate?

The European Community (EC) number is 303-650-6.

What is the UNII of 2-Hydroxypropane-1,3-diyl didocosanoate?

The UNII is 84T2X52XS0.

What is the molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, and covalently-bonded unit count of 2-Hydroxypropane-1,3-diyl didocosanoate?

The molecular weight is 737.2 g/mol.
The XLogP3-AA is 20.5.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 5.
The rotatable bond count is 46.
The exact mass is 736.69447603 g/mol.
The monoisotopic mass is 736.69447603 g/mol.
The topological polar surface area is 72.8 ?2.
The heavy atom count is 52.
The formal charge is 0.
The complexity is 652.
The isotope atom count is 0.
The defined atom stereocenter count is 0.
The undefined atom stereocenter count is 0.
The defined bond stereocenter count is 0.
The undefined bond stereocenter count is 0.
The covalently-bonded unit count is 1.