Idx 184
S-[2-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
Molecular Identity
Idx 184
S-[2-[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(benzylamino)phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate
PubChem CID: 71300869
2D Structure
Properties
C25H37N6O9PS
Molecular Formula
628.60
Molecular Weight
g/mol
628.2080
Exact Mass
Da
-2.1
XLogP
Drug-like (Lipinski: < 5)
243
TPSA
May have limited oral absorption
6
H-Bond Donors
13
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(C(OC1N2C=NC3C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)OIsomeric SMILES
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3C2N=C(NC3=O)N)COP(=O)(NCC4=CC=CC=C4)OCCSC(=O)C(C)(C)CO)O)OSynonyms(8)
DTXSID001529971207451-95-3RefChem:923295DTXCID1075488Idx 184IDX184SCHEMBL299708745'-O-[(Benzylamino){2-[(3-hydroxy-2,2-dimethylpropanoyl)sulfanyl]ethoxy}phosphoryl]-2'-C-methyl-4,5-dihydroguanosine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Idx 184
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