(2S,3S,4S,5R,6S)-6-((2S)-2-ETHOXY-3-(4-(2-(4-METHYLSULFONYLOXYPHENYL)ETHOXY)PHENYL)PROPANOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H32O13S
Molecular Weight	584.589
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-((2S)-2-ETHOXY-3-(4-(2-(4-METHYLSULFONYLOXYPHENYL)ETHOXY)PHENYL)PROPANOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=CELOCKHPPHSUIH-HUSYJWKKSA-N

InChI=1S/C26H32O13S/c1-3-35-19(25(32)38-26-22(29)20(27)21(28)23(37-26)24(30)31)14-16-6-8-17(9-7-16)36-13-12-15-4-10-18(11-5-15)39-40(2,33)34/h4-11,19-23,26-29H,3,12-14H2,1-2H3,(H,30,31)/t19-,20-,21-,22+,23-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H32O13S
Molecular Weight	584.589
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 16:19:21 UTC 2023` Edited by `admin` on `Sat Dec 16 16:19:21 UTC 2023`
Record UNII	9D2588L22Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-6-((2S)-2-ETHOXY-3-(4-(2-(4-METHYLSULFONYLOXYPHENYL)ETHOXY)PHENYL)PROPANOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613907

Created by admin on Sat Dec 16 16:19:21 UTC 2023 , Edited by admin on Sat Dec 16 16:19:21 UTC 2023

PRIMARY

FDA UNII

9D2588L22Y

Created by admin on Sat Dec 16 16:19:21 UTC 2023 , Edited by admin on Sat Dec 16 16:19:21 UTC 2023

PRIMARY

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