Gs-6620
[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-4-methyl-2-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] 2-methylpropanoate
Molecular Identity
Gs-6620
[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-4-methyl-2-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] 2-methylpropanoate
PubChem CID: 54759694
2D Structure
Properties
C29H37N6O9P
Molecular Formula
644.60
Molecular Weight
g/mol
644.2360
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
210
TPSA
May have limited oral absorption
3
H-Bond Donors
14
H-Bond Acceptors
1160
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OC1C(OC(C1(C)O)(C#N)C2=CC=C3N2N=CN=C3N)COP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=CC=C4Isomeric SMILES
SMILES: C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)(C)O)OC(=O)C(C)C)OC4=CC=CC=C4Synonyms(14)
GS6620GS 6620DTXSID60159240RefChem:922523DTXCID8081731propan-2-yl (2S)-2-(((S)-(((2R,3R,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-4-hydroxy-4-methyl-3-((2-methylpropanoyl)oxy)oxolan-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate1350735-70-4Gs-6620WD5DUG7X38SCHEMBL10142654(2R,3R,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-2-((((S)-(((S)-1-isopropoxy-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)methyl)-4-methyltetrahydrofuran-3-yl isobutyrateDB15222GS-6620, >98% (HPLC)[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-hydroxy-2-[[[[(1S)-2-isopropoxy-1-methyl-2-oxo-ethyl]amino]-phenoxy-phosphoryl]oxymethyl]-4-methyl-tetrahydrofuran-3-yl] 2-methylpropanoate
Data from PubChem (NCBI)
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