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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N92X46X147
Record Status Validated (UNII)
Record Version