(2R,3R,4S,5S,6R)-5-({(2S,3R,4S,5S,6R)-3,5-DIHYDROXY-4,6-BIS[(2-HYDROXYETHOXY)METHYL]TETRAHYDRO-2H-PYRAN-2-YL}OXY)-3-(2-HYDROXYETHOXY)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,4-DIOL

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Free-form
EPA CompTox DTXSID201335753

Structure

InChI Key PDNIYGOTKMYKQT-KSQRYXQLSA-N
Smiles OCCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OCCO)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](COCCO)[C@@H]1O
InChI
InChI=1S/C19H36O14/c20-1-4-28-8-10-13(24)12(9-29-5-2-21)32-19(14(10)25)33-16-11(7-23)31-18(27)17(15(16)26)30-6-3-22/h10-27H,1-9H2/t10-,11+,12+,13-,14+,15-,16+,17+,18+,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H36O14
Molecular Weight 488.21
AlogP -5.1
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 14.0
Polar Surface Area 217.22
Heavy Atoms 33.0

Cross References

Resources Reference
NORMAN SUSDAT
CONTENTS