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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14N4O10P2S
Molecular Weight 444.251
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Mercaptopurine ribonucleoside 5′-diphosphate

SMILES

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N2C=NC3=C2NC=NC3=S

InChI

InChIKey=MHJZYMCYLFGDRD-KQYNXXCUSA-N
InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6-Mercaptopurine ribonucleoside 5′-diphosphate
Common Name English
9H-Purine-6-thiol, 9-β-D-ribofuranosyl-, 5′-pyrophosphate
Common Name English
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methylphosphonohydrogenphosphate
Systematic Name English
6-Mercapto-9-β-D-ribofuranosylpurine 5′-diphosphate
Common Name English
Inosine 5′-(trihydrogen diphosphate), 6-thio-
Common Name English
Code System Code Type Description
FDA UNII
X68WXD4Y4N
Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID70230372
Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023
PRIMARY
PUBCHEM
3038401
Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023
PRIMARY
CAS
805-63-0
Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023
PRIMARY