(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2S,5R)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H26FN3O4S
Molecular Weight	399.48
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2S,5R)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Structure Search

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]2O[C@H](CS2)N3C=C(F)C(N)=NC3=O

InChI

InChIKey=AUTCQXVTOIJYOT-IVHFILHXSA-N

InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)/t10-,11+,13-,14-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H26FN3O4S
Molecular Weight	399.48
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 `Wed Apr 02 17:33:53 GMT 2025` Edited by `admin` on `Wed Apr 02 17:33:53 GMT 2025`
Record UNII	EK3394NW88
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2S,5R)-

Preferred Name

English

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2S,5R)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Systematic Name

English

1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1?(2S*,5R*),2?,5?]]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60694828

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

PRIMARY

FDA UNII

EK3394NW88

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

PRIMARY

PUBCHEM

86307843

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

PRIMARY

CAS

147126-75-8

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

PRIMARY