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Details

Stereochemistry MIXED
Molecular Formula C21H22Cl2O6
Molecular Weight 441.302
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3:2,4-BIS-O-((4-CHLOROPHENYL)METHYLENE)-D-GLUCITOL

SMILES

[H][C@]12COC(O[C@@]1([H])[C@](C)(OC(O2)C3=CC=C(Cl)C=C3)[C@H](O)CO)C4=CC=C(Cl)C=C4

InChI

InChIKey=YULFFYZCWUUTNC-YWPNNVDBSA-N
InChI=1S/C21H22Cl2O6/c1-21(17(25)10-24)18-16(27-20(29-21)13-4-8-15(23)9-5-13)11-26-19(28-18)12-2-6-14(22)7-3-12/h2-9,16-20,24-25H,10-11H2,1H3/t16-,17+,18+,19?,20?,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22Cl2O6
Molecular Weight 441.302
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HGF72559LP
Record Status Validated (UNII)
Record Version