1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione

C25H34N2O8Si — CID 10649581

About 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione

1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10649581) has the molecular formula C25H34N2O8Si and a molecular weight of 518.64 g/mol. Its IUPAC name is 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
• PubChem CID: 10649581
• Molecular Formula: C25H34N2O8Si
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.21
• IUPAC Name: 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O[C@@H]2COC(=O)C[C@@]21O
• InChI: InChI=1S/C25H34N2O8Si/c1-24(2,3)36(4,5)35-21-22(34-18-15-33-20(29)13-25(18,21)31)26-12-11-19(28)27(23(26)30)16-32-14-17-9-7-6-8-10-17/h6-12,18,21-22,31H,13-16H2,1-5H3/t18-,21+,22-,25-/m1/s1
• InChIKey: PJCTWZDAXVQZIB-LALUYCJQSA-N
• XLogP: 2.15
• TPSA: 118.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 10649581) is 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O[C@@H]2COC(=O)C[C@@]21O.

What is the InChIKey of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

The InChIKey is PJCTWZDAXVQZIB-LALUYCJQSA-N. The full InChI is InChI=1S/C25H34N2O8Si/c1-24(2,3)36(4,5)35-21-22(34-18-15-33-20(29)13-25(18,21)31)26-12-11-19(28)27(23(26)30)16-32-14-17-9-7-6-8-10-17/h6-12,18,21-22,31H,13-16H2,1-5H3/t18-,21+,22-,25-/m1/s1.

What are the key properties of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 518.64 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10649581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).