9055-65-6 Purity
96%
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Specification
The molecular formula of Tween 85 is C62H114O10.
Some synonyms of Tween 85 are HY-W127627 and CS-0185828.
The computed molecular weight of Tween 85 is 1019.6 g/mol.
The component compounds of Tween 85 are Ethylene Glycol and Sorbitantrioleate.
Tween 85 was created on 2023-04-28 and last modified on 2023-12-30.
Tween 85 is described as Sorbitan mono-9-octadecanoate poly(oxy-1,2-ethanediyl) derivatives; complex mixtures of polyoxyethylene ethers used as emulsifiers or dispersing agents in pharmaceuticals.
The hydrogen bond donor count of Tween 85 is 3.
Tween 85 has 54 rotatable bonds.
The topological polar surface area of Tween 85 is 149 Å2.
Tween 85 has 4 defined atom stereocenters.
Some synonyms for Tween 85 are HY-W127627 and CS-0185828.
The molecular weight of Tween 85 is 1019.6 g/mol.
The parent compound of Tween 85 is Sorbitantrioleate.
Tween 85 is described as sorbitan mono-9-octadecanoate poly(oxy-1,2-ethanediyl) derivatives, complex mixtures of polyoxyethylene ethers used as emulsifiers or dispersing agents in pharmaceuticals.
Some computed molecular properties of Tween 85 include a hydrogen bond donor count of 3, a hydrogen bond acceptor count of 10, a rotatable bond count of 54, an exact mass of 1018.84119983 g/mol, a monoisotopic mass of 1018.84119983 g/mol, a topological polar surface area of 149 Ų, a heavy atom count of 72, a formal charge of 0, a complexity of 1230, an isotope atom count of 0, a defined atom stereocenter count of 4, a defined bond stereocenter count of 3, and a covalently-bonded unit count of 2.
The IUPAC name of Tween 85 is ethane-1,2-diol;[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-[(Z)-octadec-9-enoyl]oxyethyl]-4-[(Z)-octadec-9-enoyl]oxyoxolan-3-yl] (Z)-octadec-9-enoate.
The InChIKey of Tween 85 is NJIUYHZRNFESHR-PMRARPSUSA-N.
Tween 85 has 10 hydrogen bond acceptors.