Thymidine-5'-diphosphate-D-glucose disodium salt

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H24N2O16P2.2Na
Molecular Weight	608.2926
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Thymidine-5'-diphosphate-D-glucose disodium salt

Structure Search

SMILES

[Na+].[Na+].CC1=CN([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O

InChI

InChIKey=PPAHWQWZRRHSCD-QMMSDIQLSA-L

InChI=1S/C16H26N2O16P2.2Na/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15;;/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25);;/q;2*+1/p-2/t7-,8+,9+,10+,11+,12-,13+,15+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C16H24N2O16P2
Molecular Weight	562.3131
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:20:38 GMT 2025` Edited by `admin` on `Wed Apr 02 15:20:38 GMT 2025`
Record UNII	EE4CTB7DTP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Thymidine-5'-diphosphate-D-glucose disodium salt

Common Name

English

Thymidine 5?-(trihydrogen diphosphate), P?-?-D-glucopyranosyl ester, disodium salt

Preferred Name

English

Thymidine-5'-diphosphate-a-D-glucose disodium salt

Common Name

English

Thymidine 5?-(trihydrogen diphosphate), P?-?-D-glucopyranosyl ester, sodium salt (1:2)

Common Name

English

disodium,[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl][(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphate

Systematic Name

English

[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate disodium

Systematic Name

English

Code System Code Type Description

FDA UNII

EE4CTB7DTP

Created by admin on Wed Apr 02 15:20:38 GMT 2025 , Edited by admin on Wed Apr 02 15:20:38 GMT 2025

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CAS

148296-43-9

Created by admin on Wed Apr 02 15:20:38 GMT 2025 , Edited by admin on Wed Apr 02 15:20:38 GMT 2025

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EPA CompTox

DTXSID30745634

Created by admin on Wed Apr 02 15:20:38 GMT 2025 , Edited by admin on Wed Apr 02 15:20:38 GMT 2025

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PUBCHEM

71308773

Created by admin on Wed Apr 02 15:20:38 GMT 2025 , Edited by admin on Wed Apr 02 15:20:38 GMT 2025

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