3'-Phosphoadenosine-5'-phosphosulfate lithium salt hydrate
tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[oxido(sulfonatooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphate;hydrate
Molecular Identity
3'-Phosphoadenosine-5'-phosphosulfate lithium salt hydrate
tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[oxido(sulfonatooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphate;hydrate
PubChem CID: 77620750
2D Structure
Properties
C10H13Li4N5O14P2S
Molecular Formula
549.10
Molecular Weight
g/mol
549.0295
Exact Mass
Da
297
TPSA
May have limited oral absorption
3
H-Bond Donors
18
H-Bond Acceptors
819
Complexity
SMILES
Canonical SMILES
SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OS(=O)(=O)[O-])OP(=O)([O-])[O-])O)N.OIsomeric SMILES
SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OS(=O)(=O)[O-])OP(=O)([O-])[O-])O)N.OSynonyms(8)
3'-Phosphoadenosine-5'-phosphosulfate lithium salt hydrateAPPSSCHEMBL29619184C10H13Li4N5O14P2SNP46144Adenosine 3 inverted exclamation marka-Phosphate 5 inverted exclamation marka-Phosphosulfate Lithium Salt HydrateTetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[oxido(sulfonatooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphate;hydratetetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[oxido(sulfonatooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphate;hydrate
Data from PubChem (NCBI)
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Molecular Structure
3'-Phosphoadenosine-5'-phosphosulfate lithium salt hydrate
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Drug Network
Trials and conditions connected to 3'-Phosphoadenosine-5'-phosphosulfate lithium salt hydrate
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