((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22ClN2O9P
Molecular Weight	440.77
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester

Structure Search

SMILES

CCOC(=O)CP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(CCCl)C(=O)NC2=O

InChI

InChIKey=HXNRHDOASNEXHM-QJPTWQEYSA-N

InChI=1S/C15H22ClN2O9P/c1-2-25-13(20)8-28(23,24)26-7-11-10(19)5-12(27-11)18-6-9(3-4-16)14(21)17-15(18)22/h6,10-12,19H,2-5,7-8H2,1H3,(H,23,24)(H,17,21,22)/t10-,11+,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22ClN2O9P
Molecular Weight	440.77
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 `Sat Dec 16 10:32:25 GMT 2023` Edited by `admin` on `Sat Dec 16 10:32:25 GMT 2023`
Record UNII	QGP53Q987H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester

Common Name

English

Uridine, 5-(2-chloroethyl)-2′-deoxy-, 5′-[hydrogen (2-ethoxy-2-oxoethyl)phosphonate]

Systematic Name

English

{[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}(2-ethoxy-2-oxoethyl)phosphinic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

QGP53Q987H

Created by admin on Sat Dec 16 10:32:25 GMT 2023 , Edited by admin on Sat Dec 16 10:32:25 GMT 2023

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EPA CompTox

DTXSID50921690

Created by admin on Sat Dec 16 10:32:25 GMT 2023 , Edited by admin on Sat Dec 16 10:32:25 GMT 2023

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CAS

115365-25-8

Created by admin on Sat Dec 16 10:32:25 GMT 2023 , Edited by admin on Sat Dec 16 10:32:25 GMT 2023

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PUBCHEM

5272124

Created by admin on Sat Dec 16 10:32:25 GMT 2023 , Edited by admin on Sat Dec 16 10:32:25 GMT 2023

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