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Details

Stereochemistry RACEMIC
Molecular Formula C11H16N6O3
Molecular Weight 280.2831
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-1,2-CYCLOPENTANEDIOL, REL-(1R,2R,3S,5S)-3-

SMILES

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

InChI

InChIKey=ZLJQBJBJBIATTP-KYNKHSRBSA-N
InChI=1S/C11H16N6O3/c12-9-6-10(16-11(13)15-9)17(3-14-6)5-1-4(2-18)7(19)8(5)20/h3-5,7-8,18-20H,1-2H2,(H4,12,13,15,16)/t4-,5-,7+,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H16N6O3
Molecular Weight 280.2831
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:17:26 GMT 2025
Edited
by admin
on Mon Mar 31 23:17:26 GMT 2025
Record UNII
NZ3L573MR2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-1,2-CYCLOPENTANEDIOL, REL-(1R,2R,3S,5S)-3-
Systematic Name English
1,2-CYCLOPENTANEDIOL, 3-(2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-, REL-(1S,2S,3R,5R)-
Preferred Name English
REL-(1R,2R,3S,5S)-3-(2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-1,2-CYCLOPENTANEDIOL
Systematic Name English
1,2-CYCLOPENTANEDIOL, 3-(2,6-DIAMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-, (1.ALPHA.,2.BETA.,3.ALPHA.,5.ALPHA.)-(±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5272151
Created by admin on Mon Mar 31 23:17:26 GMT 2025 , Edited by admin on Mon Mar 31 23:17:26 GMT 2025
PRIMARY
CAS
108742-10-5
Created by admin on Mon Mar 31 23:17:26 GMT 2025 , Edited by admin on Mon Mar 31 23:17:26 GMT 2025
PRIMARY
FDA UNII
NZ3L573MR2
Created by admin on Mon Mar 31 23:17:26 GMT 2025 , Edited by admin on Mon Mar 31 23:17:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID10910863
Created by admin on Mon Mar 31 23:17:26 GMT 2025 , Edited by admin on Mon Mar 31 23:17:26 GMT 2025
PRIMARY