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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33ClO10
Molecular Weight 577.019
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate

SMILES

CCOC1=CC=CC=C1CC2=CC(=CC=C2Cl)[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O

InChI

InChIKey=HTSGWVYFHGFQSL-ZCCUTQAASA-N
InChI=1S/C29H33ClO10/c1-6-35-24-10-8-7-9-20(24)13-22-14-21(11-12-23(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
Systematic Name English
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(2-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Preferred Name English
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(2-ethoxyphenyl)methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
122677937
Created by admin on Wed Apr 02 17:38:00 GMT 2025 , Edited by admin on Wed Apr 02 17:38:00 GMT 2025
PRIMARY
CAS
2040305-09-5
Created by admin on Wed Apr 02 17:38:00 GMT 2025 , Edited by admin on Wed Apr 02 17:38:00 GMT 2025
PRIMARY
FDA UNII
FLL2S5R4GV
Created by admin on Wed Apr 02 17:38:00 GMT 2025 , Edited by admin on Wed Apr 02 17:38:00 GMT 2025
PRIMARY