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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14N5O4PS
Molecular Weight 331.288
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2′,3′-Dideoxyadenosine-5′-monothiophosphate

SMILES

NC1=C2N=CN([C@H]3CC[C@@H](COP(O)(S)=O)O3)C2=NC=N1

InChI

InChIKey=XHZQMJHQJKTFCZ-NKWVEPMBSA-N
InChI=1S/C10H14N5O4PS/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(19-7)3-18-20(16,17)21/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,21)/t6-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H14N5O4PS
Molecular Weight 331.288
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:46 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:46 GMT 2023
Record UNII
5WYF5RLG2D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2′,3′-Dideoxyadenosine-5′-monothiophosphate
Systematic Name English
9-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]purin-6-amine
Systematic Name English
Code System Code Type Description
FDA UNII
5WYF5RLG2D
Created by admin on Sat Dec 16 19:47:46 GMT 2023 , Edited by admin on Sat Dec 16 19:47:46 GMT 2023
PRIMARY
CAS
1266500-93-9
Created by admin on Sat Dec 16 19:47:46 GMT 2023 , Edited by admin on Sat Dec 16 19:47:46 GMT 2023
PRIMARY
PUBCHEM
22880472
Created by admin on Sat Dec 16 19:47:46 GMT 2023 , Edited by admin on Sat Dec 16 19:47:46 GMT 2023
PRIMARY