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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15F3O9
Molecular Weight 384.2587
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2-HYDROXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL

SMILES

O[C@@H]1[C@@H](O)[C@H](OCC2=CC(OC(F)(F)F)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=NGYLHVIZQVWSDZ-XPORZQOISA-N
InChI=1S/C14H15F3O9/c15-14(16,17)26-6-1-2-7(18)5(3-6)4-24-13-10(21)8(19)9(20)11(25-13)12(22)23/h1-3,8-11,13,18-21H,4H2,(H,22,23)/t8-,9-,10+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H15F3O9
Molecular Weight 384.2587
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:14:03 GMT 2023
Edited
by admin
on Sat Dec 16 16:14:03 GMT 2023
Record UNII
4QTV2LM2F8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2-HYDROXY-5-(TRIFLUOROMETHOXY)PHENYL)METHYL
Systematic Name English
CP-122721 METABOLITE M18
Common Name English
Code System Code Type Description
FDA UNII
4QTV2LM2F8
Created by admin on Sat Dec 16 16:14:03 GMT 2023 , Edited by admin on Sat Dec 16 16:14:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID601025033
Created by admin on Sat Dec 16 16:14:03 GMT 2023 , Edited by admin on Sat Dec 16 16:14:03 GMT 2023
PRIMARY
PUBCHEM
154572882
Created by admin on Sat Dec 16 16:14:03 GMT 2023 , Edited by admin on Sat Dec 16 16:14:03 GMT 2023
PRIMARY
CAS
944942-42-1
Created by admin on Sat Dec 16 16:14:03 GMT 2023 , Edited by admin on Sat Dec 16 16:14:03 GMT 2023
PRIMARY
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