1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione

C61H84N2O10Si — CID 147067756

About 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione

1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione (PubChem CID 147067756) has the molecular formula C61H84N2O10Si and a molecular weight of 1033.43 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione
• PubChem CID: 147067756
• Molecular Formula: C61H84N2O10Si
• Molecular Weight: 1033.43 g/mol
• Exact Mass: 1032.59
• IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione
• SMILES: CCCCCCCCCCCCCCCCOc1cc(C(=O)n2c(=O)ccn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](O)C3O[Si](C)(C)C(C)(C)C)c2=O)cc(C)c1C
• InChI: InChI=1S/C61H84N2O10Si/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-27-40-70-52-42-46(41-44(2)45(52)3)57(66)63-54(64)38-39-62(59(63)67)58-56(73-74(9,10)60(4,5)6)55(65)53(72-58)43-71-61(47-28-25-24-26-29-47,48-30-34-50(68-7)35-31-48)49-32-36-51(69-8)37-33-49/h24-26,28-39,41-42,53,55-56,58,65H,11-23,27,40,43H2,1-10H3/t53-,55+,56?,58-/m1/s1
• InChIKey: BELGSLMUPXYHEU-ZFNNZKBESA-N
• XLogP: 12.85
• TPSA: 136.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.43
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione (CID 147067756) is 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione is CCCCCCCCCCCCCCCCOc1cc(C(=O)n2c(=O)ccn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](O)C3O[Si](C)(C)C(C)(C)C)c2=O)cc(C)c1C.

What is the InChIKey of 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione?

The InChIKey is BELGSLMUPXYHEU-ZFNNZKBESA-N. The full InChI is InChI=1S/C61H84N2O10Si/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-27-40-70-52-42-46(41-44(2)45(52)3)57(66)63-54(64)38-39-62(59(63)67)58-56(73-74(9,10)60(4,5)6)55(65)53(72-58)43-71-61(47-28-25-24-26-29-47,48-30-34-50(68-7)35-31-48)49-32-36-51(69-8)37-33-49/h24-26,28-39,41-42,53,55-56,58,65H,11-23,27,40,43H2,1-10H3/t53-,55+,56?,58-/m1/s1.

What are the key properties of 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione?

1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione has a molecular weight of 1033.43 g/mol, XLogP of 12.85, 28 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-3-(3-hexadecoxy-4,5-dimethylbenzoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 147067756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).