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Details

Stereochemistry RACEMIC
Molecular Formula C11H15N5O4
Molecular Weight 281.2679
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-9-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one, rel-

SMILES

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

InChI

InChIKey=KIDOTSCXAILVGR-KYNKHSRBSA-N
InChI=1S/C11H15N5O4/c12-11-14-9-6(10(20)15-11)13-3-16(9)5-1-4(2-17)7(18)8(5)19/h3-5,7-8,17-19H,1-2H2,(H3,12,14,15,20)/t4-,5-,7+,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H15N5O4
Molecular Weight 281.2679
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 Sat Dec 16 12:54:19 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:19 GMT 2023
Record UNII
QA3BK2HZQ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Amino-9-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one, rel-
Systematic Name English
CARBOCYCLIC-XYLOGUANOSINE
Common Name English
6H-Purin-6-one, 2-amino-9-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, rel-
Systematic Name English
NSC-615827
Code English
Code System Code Type Description
FDA UNII
QA3BK2HZQ6
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
PUBCHEM
135538659
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
NSC
615827
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
CAS
108742-09-2
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID70148726
Created by admin on Sat Dec 16 12:54:19 GMT 2023 , Edited by admin on Sat Dec 16 12:54:19 GMT 2023
PRIMARY