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Details

Stereochemistry RACEMIC
Molecular Formula C13H17N5O6
Molecular Weight 339.304
Optical Activity ( + / - )
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N2-(1-CARBOXYETHYL)-2'-DEOXYGUANOSINE

SMILES

CC(NC1=NC2=C(N=CN2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1)C(O)=O

InChI

InChIKey=MXNKUBJIXVVNPY-UNYLCCJPSA-N
InChI=1S/C13H17N5O6/c1-5(12(22)23)15-13-16-10-9(11(21)17-13)14-4-18(10)8-2-6(20)7(3-19)24-8/h4-8,19-20H,2-3H2,1H3,(H,22,23)(H2,15,16,17,21)/t5?,6-,7+,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H17N5O6
Molecular Weight 339.304
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:30:24 GMT 2023
Edited
by admin
on Sat Dec 16 01:30:24 GMT 2023
Record UNII
N92X46X147
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N2-(1-CARBOXYETHYL)-2'-DEOXYGUANOSINE
Systematic Name English
ALANINE, N-(9-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-6,9-DIHYDRO-6-OXO-1H-PURIN-2-YL)-
Systematic Name English
N2-CARBOXYETHYL-2'-DEOXYGUANOSINE
Systematic Name English
N-(1-CARBOXYETHYL)-2'-DEOXYGUANOSINE
Systematic Name English
CEDG
Common Name English
J1.203.056H
Code English
Code System Code Type Description
FDA UNII
N92X46X147
Created by admin on Sat Dec 16 01:30:24 GMT 2023 , Edited by admin on Sat Dec 16 01:30:24 GMT 2023
PRIMARY
CAS
252039-58-0
Created by admin on Sat Dec 16 01:30:24 GMT 2023 , Edited by admin on Sat Dec 16 01:30:24 GMT 2023
PRIMARY
PUBCHEM
135970739
Created by admin on Sat Dec 16 01:30:24 GMT 2023 , Edited by admin on Sat Dec 16 01:30:24 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE