[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite

C42H51N4O10PSi — CID 10771781

About [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite

[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite (PubChem CID 10771781) has the molecular formula C42H51N4O10PSi and a molecular weight of 830.95 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite
• PubChem CID: 10771781
• Molecular Formula: C42H51N4O10PSi
• Molecular Weight: 830.95 g/mol
• Exact Mass: 830.31
• IUPAC Name: [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)OCCC#N)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C42H51N4O10PSi/c1-41(2,3)58(6,7)56-38-37(55-57(52-27-11-24-43)53-28-12-25-44)35(54-39(38)46-26-23-36(47)45-40(46)48)29-51-42(30-13-9-8-10-14-30,31-15-19-33(49-4)20-16-31)32-17-21-34(50-5)22-18-32/h8-10,13-23,26,35,37-39H,11-12,27-29H2,1-7H3,(H,45,47,48)/t35-,37-,38-,39-/m1/s1
• InChIKey: HGBXKPLHEZRRJN-JMGLZSBTSA-N
• XLogP: 7.32
• TPSA: 176.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	830.95
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite?

The IUPAC name of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite (CID 10771781) is [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite.

What is the SMILES notation for [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite?

The canonical SMILES for [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)OCCC#N)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite?

The InChIKey is HGBXKPLHEZRRJN-JMGLZSBTSA-N. The full InChI is InChI=1S/C42H51N4O10PSi/c1-41(2,3)58(6,7)56-38-37(55-57(52-27-11-24-43)53-28-12-25-44)35(54-39(38)46-26-23-36(47)45-40(46)48)29-51-42(30-13-9-8-10-14-30,31-15-19-33(49-4)20-16-31)32-17-21-34(50-5)22-18-32/h8-10,13-23,26,35,37-39H,11-12,27-29H2,1-7H3,(H,45,47,48)/t35-,37-,38-,39-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite?

[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite has a molecular weight of 830.95 g/mol, XLogP of 7.32, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] bis(2-cyanoethyl) phosphite is sourced from PubChem (CID 10771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).