Psi-352938
9-[(2S,4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine
Molecular Identity
Psi-352938
9-[(2S,4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine
PubChem CID: 45102284
2D Structure
Properties
C16H23FN5O6P
Molecular Formula
431.36
Molecular Weight
g/mol
431.1370
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
133
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
663
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=NC(=NC2=C1N=CN2C3C(C4C(O3)COP(=O)(O4)OC(C)C)(C)F)NIsomeric SMILES
SMILES: CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@]([C@H]4[C@H](O3)CO[P@](=O)(O4)OC(C)C)(C)F)NSynonyms(20)
1199809-32-93Z30JH9QX1PSI352938Guanosine, 2'-deoxy-6-O-ethyl-2'-fluoro-2'-methyl-, cyclic 3',5'-(1-methylethyl (R)-phosphate), (2'R)-PSI938GS0938GS-0938RefChem:177033PSI 352938(2S,4aR,6R,7R,7aR)-6-(2-amino-6-ethoxy-9H-purin-9-yl)-7-fluoro-7-methyl-2-(propan-2-yloxy)-hexahydro-2lambda5-furo(3,2-d)(1,3,2)dioxaphosphinin-2-onePsi-352938PSI-9389-[(2S,4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amineUNII-3Z30JH9QX1SCHEMBL1551747
Data from PubChem (NCBI)
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