[(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione

C31H40F4N4O12Si — CID 160617465

About [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione

[(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione (PubChem CID 160617465) has the molecular formula C31H40F4N4O12Si and a molecular weight of 764.75 g/mol. Its IUPAC name is [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
• PubChem CID: 160617465
• Molecular Formula: C31H40F4N4O12Si
• Molecular Weight: 764.75 g/mol
• Exact Mass: 764.23
• IUPAC Name: [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
• SMILES: CC(=O)OC(C)[C@H]1O[C@@H](n2cc(C#C[Si](C)(C)C)c(=O)[nH]c2=O)C(F)(F)[C@@H]1OC(C)=O.CCc1cn([C@@H]2O[C@H](C(C)O)[C@@H](O)C2(F)F)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H24F2N2O7Si.C12H16F2N2O5/c1-10(28-11(2)24)14-15(29-12(3)25)19(20,21)17(30-14)23-9-13(7-8-31(4,5)6)16(26)22-18(23)27;1-3-6-4-16(11(20)15-9(6)19)10-12(13,14)8(18)7(21-10)5(2)17/h9-10,14-15,17H,1-6H3,(H,22,26,27);4-5,7-8,10,17-18H,3H2,1-2H3,(H,15,19,20)/t10?,14-,15-,17-;5?,7-,8-,10-/m11/s1
• InChIKey: RGGVZRJABAEGGS-PZHPUXIXSA-N
• XLogP: 0.55
• TPSA: 221.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.75
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?

The IUPAC name of [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione (CID 160617465) is [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione.

What is the SMILES notation for [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?

The canonical SMILES for [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione is CC(=O)OC(C)[C@H]1O[C@@H](n2cc(C#C[Si](C)(C)C)c(=O)[nH]c2=O)C(F)(F)[C@@H]1OC(C)=O.CCc1cn([C@@H]2O[C@H](C(C)O)[C@@H](O)C2(F)F)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?

The InChIKey is RGGVZRJABAEGGS-PZHPUXIXSA-N. The full InChI is InChI=1S/C19H24F2N2O7Si.C12H16F2N2O5/c1-10(28-11(2)24)14-15(29-12(3)25)19(20,21)17(30-14)23-9-13(7-8-31(4,5)6)16(26)22-18(23)27;1-3-6-4-16(11(20)15-9(6)19)10-12(13,14)8(18)7(21-10)5(2)17/h9-10,14-15,17H,1-6H3,(H,22,26,27);4-5,7-8,10,17-18H,3H2,1-2H3,(H,15,19,20)/t10?,14-,15-,17-;5?,7-,8-,10-/m11/s1.

What are the key properties of [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione?

[(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 764.75 g/mol, XLogP of 0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 160617465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).