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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H50O13
Molecular Weight 594.6888
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUCROSE 1',6-DICAPRYLATE

SMILES

CCCCCCCC(=O)OC[C@H]1O[C@H](O[C@]2(COC(=O)CCCCCCC)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XMWKJMHPPVSYEN-AVONVRORSA-N
InChI=1S/C28H50O13/c1-3-5-7-9-11-13-20(30)37-16-19-22(32)24(34)25(35)27(39-19)41-28(26(36)23(33)18(15-29)40-28)17-38-21(31)14-12-10-8-6-4-2/h18-19,22-27,29,32-36H,3-17H2,1-2H3/t18-,19-,22-,23-,24+,25-,26+,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H50O13
Molecular Weight 594.6888
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:35:17 GMT 2023
Edited
by admin
on Sat Dec 16 09:35:17 GMT 2023
Record UNII
OB5Q52039D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUCROSE 1',6-DICAPRYLATE
Common Name English
1',6-DIOCTANOYLSUCROSE
Common Name English
SUCROSE 1',6-DIOCTANOATE
Common Name English
.ALPHA.-D-GLUCOPYRANOSIDE, 1-O-(1-OXOOCTYL)-.BETA.-D-FRUCTOFURANOSYL, 6-OCTANOATE
Systematic Name English
6,1'-DIOCTANOYLSUCROSE
Common Name English
Code System Code Type Description
CAS
930287-53-9
Created by admin on Sat Dec 16 09:35:17 GMT 2023 , Edited by admin on Sat Dec 16 09:35:17 GMT 2023
PRIMARY
PUBCHEM
101407517
Created by admin on Sat Dec 16 09:35:17 GMT 2023 , Edited by admin on Sat Dec 16 09:35:17 GMT 2023
PRIMARY
FDA UNII
OB5Q52039D
Created by admin on Sat Dec 16 09:35:17 GMT 2023 , Edited by admin on Sat Dec 16 09:35:17 GMT 2023
PRIMARY