Tiazofurin adenine dinucleotide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Identity
Tiazofurin adenine dinucleotide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
PubChem CID: 73680
2D Structure
Properties
C19H25N7O14P2S
Molecular Formula
669.50
Molecular Weight
g/mol
669.0655
Exact Mass
Da
-5.8
XLogP
Drug-like (Lipinski: < 5)
356
TPSA
May have limited oral absorption
8
H-Bond Donors
20
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
Tiazofurin adenine dinucleotideTCADThiazole-4-carboxamide adenine dinucleotide83285-83-0RefChem:189292NSC 358285CHEMBL394276NSC358285SCHEMBL29358354BDBM19253Tiazofurin Adenine Dinucleotide (TAD)[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateAdenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 2-beta-D-ribofuranosyl-4-thiazolecarboxamide[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]hydrogen phosphate
Data from PubChem (NCBI)
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Trials and conditions connected to Tiazofurin adenine dinucleotide
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