3-Hydroxy-5-[[(2R)-tetrahydro-5-oxo-2-furanyl]methyl]phenyl β-D-glucopyranosiduronic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O10
Molecular Weight	384.3347
Optical Activity	( - )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Hydroxy-5-[[(2R)-tetrahydro-5-oxo-2-furanyl]methyl]phenyl β-D-glucopyranosiduronic acid

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=RUSMDDXSDLDLKU-UWRBHNNFSA-N

InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9-,12+,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O10
Molecular Weight	384.3347
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:55:54 UTC 2023` Edited by `admin` on `Sat Dec 16 07:55:54 UTC 2023`
Record UNII	BQU2HTE8QJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Hydroxy-5-[[(2R)-tetrahydro-5-oxo-2-furanyl]methyl]phenyl β-D-glucopyranosiduronic acid

Systematic Name

English

5-(3',5'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(3-HYDROXY-5-(((R)-5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

(-)-5-(5'-HYDROXYPHENYL)-(4R)-.GAMMA.-VALEROLACTONE 3'-O-.BETA.-GLUCURONIDE

Common Name

English

(-)-5-(3',5'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

Common Name

English

β-D-Glucopyranosiduronic acid, 3-hydroxy-5-[[(2R)-tetrahydro-5-oxo-2-furanyl]methyl]phenyl

Systematic Name

English

Code System Code Type Description

PUBCHEM

101127472

Created by admin on Sat Dec 16 07:55:54 UTC 2023 , Edited by admin on Sat Dec 16 07:55:54 UTC 2023

PRIMARY

FDA UNII

BQU2HTE8QJ

Created by admin on Sat Dec 16 07:55:54 UTC 2023 , Edited by admin on Sat Dec 16 07:55:54 UTC 2023

PRIMARY

CAS

1038922-84-7

Created by admin on Sat Dec 16 07:55:54 UTC 2023 , Edited by admin on Sat Dec 16 07:55:54 UTC 2023

PRIMARY

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