4-Diphosphocytidyl-2-C-methyl-D-erythritol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H25N3O14P2
Molecular Weight	521.3075
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Diphosphocytidyl-2-C-methyl-D-erythritol

Structure Search

SMILES

C[C@](O)(CO)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(N)=NC2=O

InChI

InChIKey=YFAUKWZNPVBCFF-XHIBXCGHSA-N

InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H25N3O14P2
Molecular Weight	521.3075
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:32:29 GMT 2023` Edited by `admin` on `Sat Dec 16 15:32:29 GMT 2023`
Record UNII	FB44VKC5JD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Diphosphocytidyl-2-C-methyl-D-erythritol

Common Name

English

Cytidine 5′-(trihydrogen diphosphate), P′-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] ester

Systematic Name

English

4-CDP-2-C-methyl-D-erythritol

Common Name

English

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy(2,3,4-trihydroxy-3-methylbutoxy)phosphoryl]oxy})phosphinic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

443199