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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12N3O8P
Molecular Weight 309.1699
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-DEOXY-5-O-PHOSPHONO-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,3,5-TRIAZINE-2,4(1H,3H)-DIONE

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N2C=NC(=O)NC2=O

InChI

InChIKey=VHPZEHJYARGUFY-KVQBGUIXSA-N
InChI=1S/C8H12N3O8P/c12-4-1-6(11-3-9-7(13)10-8(11)14)19-5(4)2-18-20(15,16)17/h3-6,12H,1-2H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H12N3O8P
Molecular Weight 309.1699
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:17:17 GMT 2023
Edited
by admin
on Sat Dec 16 15:17:17 GMT 2023
Record UNII
T6XKB2ZT5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-DEOXY-5-O-PHOSPHONO-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,3,5-TRIAZINE-2,4(1H,3H)-DIONE
Systematic Name English
5-AZA-2'-DUMP
Common Name English
5-AZA-2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Systematic Name English
1,3,5-TRIAZINE-2,4(1H,3H)-DIONE, 1-(2-DEOXY-5-O-PHOSPHONO-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-
Systematic Name English
5-AZA-2'-DEOXYURIDINE MONOPHOSPHATE
Common Name English
Code System Code Type Description
PUBCHEM
129891943
Created by admin on Sat Dec 16 15:17:17 GMT 2023 , Edited by admin on Sat Dec 16 15:17:17 GMT 2023
PRIMARY
CAS
66642-54-4
Created by admin on Sat Dec 16 15:17:17 GMT 2023 , Edited by admin on Sat Dec 16 15:17:17 GMT 2023
PRIMARY
FDA UNII
T6XKB2ZT5Q
Created by admin on Sat Dec 16 15:17:17 GMT 2023 , Edited by admin on Sat Dec 16 15:17:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE