Guanosine 5'-triphosphate P3-[1-(2-nitrophenyl)ethyl ester]
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
Molecular Identity
Guanosine 5'-triphosphate P3-[1-(2-nitrophenyl)ethyl ester]
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
PubChem CID: 135509080
2D Structure
Properties
C18H23N6O16P3
Molecular Formula
672.30
Molecular Weight
g/mol
672.0383
Exact Mass
Da
-3.5
XLogP
Drug-like (Lipinski: < 5)
330
TPSA
May have limited oral absorption
7
H-Bond Donors
18
H-Bond Acceptors
1250
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OIsomeric SMILES
SMILES: C[C@H](C1=CC=CC=C1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OSynonyms(4)
GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER]CAGQ274587105'-O-[(S)-hydroxy{[(S)-hydroxy({(S)-hydroxy[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]guanosine
Data from PubChem (NCBI)
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Molecular Structure
Guanosine 5'-triphosphate P3-[1-(2-nitrophenyl)ethyl ester]
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Drug Network
Trials and conditions connected to Guanosine 5'-triphosphate P3-[1-(2-nitrophenyl)ethyl ester]
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