[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate

C60H66N5O10PSi — CID 102046830

About [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate

[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate (PubChem CID 102046830) has the molecular formula C60H66N5O10PSi and a molecular weight of 1076.27 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate
• PubChem CID: 102046830
• Molecular Formula: C60H66N5O10PSi
• Molecular Weight: 1076.27 g/mol
• Exact Mass: 1075.43
• IUPAC Name: [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC(=O)NCC[Si](C)(C)c3ccc4ccc5cccc6ccc3c4c56)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C60H66N5O10PSi/c1-39(2)65(40(3)4)76(72-36-13-33-61)75-55-50(38-71-60(44-16-10-9-11-17-44,45-22-26-47(69-5)27-23-45)46-24-28-48(70-6)29-25-46)73-57(64-35-32-52(66)63-58(64)67)56(55)74-59(68)62-34-37-77(7,8)51-31-21-43-19-18-41-14-12-15-42-20-30-49(51)54(43)53(41)42/h9-12,14-32,35,39-40,50,55-57H,13,34,36-38H2,1-8H3,(H,62,68)(H,63,66,67)/t50-,55-,56-,57-,76?/m1/s1
• InChIKey: QMFFRGRPFYOCJY-XETVANEKSA-N
• XLogP: 10.73
• TPSA: 175.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1076.27
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	2
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate?

The IUPAC name of [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate (CID 102046830) is [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate.

What is the SMILES notation for [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate?

The canonical SMILES for [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC(=O)NCC[Si](C)(C)c3ccc4ccc5cccc6ccc3c4c56)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate?

The InChIKey is QMFFRGRPFYOCJY-XETVANEKSA-N. The full InChI is InChI=1S/C60H66N5O10PSi/c1-39(2)65(40(3)4)76(72-36-13-33-61)75-55-50(38-71-60(44-16-10-9-11-17-44,45-22-26-47(69-5)27-23-45)46-24-28-48(70-6)29-25-46)73-57(64-35-32-52(66)63-58(64)67)56(55)74-59(68)62-34-37-77(7,8)51-31-21-43-19-18-41-14-12-15-42-20-30-49(51)54(43)53(41)42/h9-12,14-32,35,39-40,50,55-57H,13,34,36-38H2,1-8H3,(H,62,68)(H,63,66,67)/t50-,55-,56-,57-,76?/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate?

[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate has a molecular weight of 1076.27 g/mol, XLogP of 10.73, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-[2-[dimethyl(pyren-1-yl)silyl]ethyl]carbamate is sourced from PubChem (CID 102046830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).