methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate

C23H43N3O6Si2 — CID 170907869

About methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate

methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate (PubChem CID 170907869) has the molecular formula C23H43N3O6Si2 and a molecular weight of 513.78 g/mol. Its IUPAC name is methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
• PubChem CID: 170907869
• Molecular Formula: C23H43N3O6Si2
• Molecular Weight: 513.78 g/mol
• Exact Mass: 513.27
• IUPAC Name: methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
• SMILES: COC(=O)c1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1N
• InChI: InChI=1S/C23H43N3O6Si2/c1-22(2,3)33(8,9)30-14-17-16(32-34(10,11)23(4,5)6)12-18(31-17)26-13-15(20(27)29-7)19(24)25-21(26)28/h13,16-18H,12,14H2,1-11H3,(H2,24,25,28)/t16-,17+,18+/m0/s1
• InChIKey: GIJPMJZPVXVFIN-RCCFBDPRSA-N
• XLogP: 4.31
• TPSA: 114.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.78
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate?

The IUPAC name of methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate (CID 170907869) is methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate.

What is the SMILES notation for methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate?

The canonical SMILES for methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate is COC(=O)c1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1N.

What is the InChIKey of methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate?

The InChIKey is GIJPMJZPVXVFIN-RCCFBDPRSA-N. The full InChI is InChI=1S/C23H43N3O6Si2/c1-22(2,3)33(8,9)30-14-17-16(32-34(10,11)23(4,5)6)12-18(31-17)26-13-15(20(27)29-7)19(24)25-21(26)28/h13,16-18H,12,14H2,1-11H3,(H2,24,25,28)/t16-,17+,18+/m0/s1.

What are the key properties of methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate?

methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate has a molecular weight of 513.78 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate is sourced from PubChem (CID 170907869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).