Ethyl (3R,4R,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H26O7S
Molecular Weight	350.428
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (3R,4R,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylate

Structure Search

SMILES

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](O)[C@@H](C1)OS(C)(=O)=O

InChI

InChIKey=XZBIOECQKNRLEH-MGPQQGTHSA-N

InChI=1S/C15H26O7S/c1-5-11(6-2)21-12-8-10(15(17)20-7-3)9-13(14(12)16)22-23(4,18)19/h8,11-14,16H,5-7,9H2,1-4H3/t12-,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H26O7S
Molecular Weight	350.428
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:56:52 GMT 2025` Edited by `admin` on `Wed Apr 02 17:56:52 GMT 2025`
Record UNII	4F6KD39DMX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (3R,4R,5R)-3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylate

Systematic Name

English

Oseltamivir Impurity 59

Preferred Name

English

(3R,4R,5R)-3-(1-Ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-1-cyclohexene-1-carboxylic acid ethyl ester

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-, ethyl ester, (3R,4R,5R)-

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 3-(1-ethylpropoxy)-4-hydroxy-5-[(methylsulfonyl)oxy]-, ethyl ester, [3R-(3?,4?,5?)]-

Systematic Name

English

(3R,4R,5R)-Ethyl 4-hydroxy-5-((methylsulfonyl)oxy)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

9863235

Created by admin on Wed Apr 02 17:56:52 GMT 2025 , Edited by admin on Wed Apr 02 17:56:52 GMT 2025

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CAS

204254-92-2

Created by admin on Wed Apr 02 17:56:52 GMT 2025 , Edited by admin on Wed Apr 02 17:56:52 GMT 2025

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FDA UNII

4F6KD39DMX

Created by admin on Wed Apr 02 17:56:52 GMT 2025 , Edited by admin on Wed Apr 02 17:56:52 GMT 2025

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