2'-O,4'-C-(ethane-1,2-diyl)-5-methyl-3'-(O-(2-hydroxyethyl)-P-thio)-3'-cytidylate sodium

Details

Stereochemistry	EPIMERIC
Molecular Formula	C14H21N3O8PS.Na
Molecular Weight	445.36
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2'-O,4'-C-(ethane-1,2-diyl)-5-methyl-3'-(O-(2-hydroxyethyl)-P-thio)-3'-cytidylate sodium

Structure Search

SMILES

[Na+].CC1=CN([C@@H]2O[C@@]3(CO)CCO[C@@H]2[C@@H]3OP([S-])(=O)OCCO)C(=O)N=C1N

InChI

InChIKey=WJVASFBOCXFEJQ-VRUNLZRMSA-M

InChI=1S/C14H22N3O8PS.Na/c1-8-6-17(13(20)16-11(8)15)12-9-10(25-26(21,27)23-5-3-18)14(7-19,24-12)2-4-22-9;/h6,9-10,12,18-19H,2-5,7H2,1H3,(H,21,27)(H2,15,16,20);/q;+1/p-1/t9-,10+,12-,14-,26?;/m1./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H21N3O8PS
Molecular Weight	422.371
Charge	-1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:21:20 GMT 2023` Edited by `admin` on `Sat Dec 16 20:21:20 GMT 2023`
Record UNII	J44UD6X65C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-O,4'-C-(ethane-1,2-diyl)-5-methyl-3'-(O-(2-hydroxyethyl)-P-thio)-3'-cytidylate sodium

Common Name

English

2'-O,4'-C-(ethane-1,2-diyl)-5-methyl-P-thio-3'-cytidylate O-(2-hydroxyethyl) sodium

Common Name

English

Code System Code Type Description

FDA UNII

J44UD6X65C

Created by admin on Sat Dec 16 20:21:20 GMT 2023 , Edited by admin on Sat Dec 16 20:21:20 GMT 2023

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