N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C51H72N5O10PSi — CID 163732532

About N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 163732532) has the molecular formula C51H72N5O10PSi and a molecular weight of 974.22 g/mol. Its IUPAC name is N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• PubChem CID: 163732532
• Molecular Formula: C51H72N5O10PSi
• Molecular Weight: 974.22 g/mol
• Exact Mass: 973.48
• IUPAC Name: N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)C(OCO[Si](C(C)C)(C(C)C)C(C)C)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C51H72N5O10PSi/c1-34(2)56(35(3)4)67(63-31-17-29-52)66-47-45(32-62-51(40-18-15-14-16-19-40,41-20-24-43(59-12)25-21-41)42-22-26-44(60-13)27-23-42)65-49(55-30-28-46(53-39(11)57)54-50(55)58)48(47)61-33-64-68(36(5)6,37(7)8)38(9)10/h14-16,18-28,30,34-38,45,47-49H,17,31-33H2,1-13H3,(H,53,54,57,58)/t45-,47?,48?,49-,67?/m1/s1
• InChIKey: LAUSLJOCUCNMJI-DAGLBSBASA-N
• XLogP: 10.32
• TPSA: 164.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.22
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The IUPAC name of N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 163732532) is N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The canonical SMILES for N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)C(OCO[Si](C(C)C)(C(C)C)C(C)C)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The InChIKey is LAUSLJOCUCNMJI-DAGLBSBASA-N. The full InChI is InChI=1S/C51H72N5O10PSi/c1-34(2)56(35(3)4)67(63-31-17-29-52)66-47-45(32-62-51(40-18-15-14-16-19-40,41-20-24-43(59-12)25-21-41)42-22-26-44(60-13)27-23-42)65-49(55-30-28-46(53-39(11)57)54-50(55)58)48(47)61-33-64-68(36(5)6,37(7)8)38(9)10/h14-16,18-28,30,34-38,45,47-49H,17,31-33H2,1-13H3,(H,53,54,57,58)/t45-,47?,48?,49-,67?/m1/s1.

What are the key properties of N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 974.22 g/mol, XLogP of 10.32, 25 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[tri(propan-2-yl)silyloxymethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 163732532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).