U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H15N5O5
Molecular Weight 297.2673
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(6'-DEOXY-BETA-D-ALLOFURANOSYL)GUANINE

SMILES

C[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=C(N)NC3=O

InChI

InChIKey=PYNVSZMFFVWFQA-KPCPHYELSA-N
InChI=1S/C11H15N5O5/c1-3(17)7-5(18)6(19)10(21-7)16-2-13-4-8(16)14-11(12)15-9(4)20/h2-3,5-7,10,17-19H,1H3,(H3,12,14,15,20)/t3-,5+,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H15N5O5
Molecular Weight 297.2673
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:16:41 GMT 2025
Edited
by admin
on Tue Apr 01 20:16:41 GMT 2025
Record UNII
SJ0Y877GP0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-347203
Preferred Name English
9-(6'-DEOXY-BETA-D-ALLOFURANOSYL)GUANINE
Systematic Name English
2-AMINO-9-(6-DEOXY-.BETA.-D-ALLOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
Systematic Name English
6H-PURIN-6-ONE, 2-AMINO-9-(6-DEOXY-.BETA.-D-ALLOFURANOSYL)-1,9-DIHYDRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701005941
Created by admin on Tue Apr 01 20:16:41 GMT 2025 , Edited by admin on Tue Apr 01 20:16:41 GMT 2025
PRIMARY
CAS
85421-89-2
Created by admin on Tue Apr 01 20:16:41 GMT 2025 , Edited by admin on Tue Apr 01 20:16:41 GMT 2025
PRIMARY
PUBCHEM
135562676
Created by admin on Tue Apr 01 20:16:41 GMT 2025 , Edited by admin on Tue Apr 01 20:16:41 GMT 2025
PRIMARY
NSC
347203
Created by admin on Tue Apr 01 20:16:41 GMT 2025 , Edited by admin on Tue Apr 01 20:16:41 GMT 2025
PRIMARY
FDA UNII
SJ0Y877GP0
Created by admin on Tue Apr 01 20:16:41 GMT 2025 , Edited by admin on Tue Apr 01 20:16:41 GMT 2025
PRIMARY