U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C95H172O10
Molecular Weight 1474.3762
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of XYLITOL PENTAOLEATE

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=XPXWDKLKEOUSOD-ZPOHDNNOSA-N
InChI=1S/C95H172O10/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-90(96)101-86-88(103-92(98)83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)95(105-94(100)85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)89(104-93(99)84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)87-102-91(97)82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h41-50,88-89,95H,6-40,51-87H2,1-5H3/b46-41-,47-42-,48-43-,49-44-,50-45-/t88-,89+,95+

HIDE SMILES / InChI

Molecular Formula C95H172O10
Molecular Weight 1474.3762
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 5
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:58:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:30 GMT 2023
Record UNII
DQ21962YEZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XYLITOL PENTAOLEATE
Common Name English
XYLITOL, 1,2,3,4,5-PENTA-(9Z)-9-OCTADECENOATE
Systematic Name English
XYLITOL, PENTA-(9Z)-9-OCTADECENOATE
Common Name English
XYLITOL, PENTA-9-OCTADECENOATE, (ALL-Z)-
Common Name English
XYLITOL, PENTAOLEATE
Common Name English
Code System Code Type Description
CAS
34219-02-8
Created by admin on Sat Dec 16 11:58:30 GMT 2023 , Edited by admin on Sat Dec 16 11:58:30 GMT 2023
PRIMARY
FDA UNII
DQ21962YEZ
Created by admin on Sat Dec 16 11:58:30 GMT 2023 , Edited by admin on Sat Dec 16 11:58:30 GMT 2023
PRIMARY