2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate

C152H192N13O30P3 — CID 163789385

About 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate

2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate (PubChem CID 163789385) has the molecular formula C152H192N13O30P3 and a molecular weight of 2774.19 g/mol. Its IUPAC name is 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate.

Molecular Properties

• Compound Name: 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate
• PubChem CID: 163789385
• Molecular Formula: C152H192N13O30P3
• Molecular Weight: 2774.19 g/mol
• Exact Mass: 2772.31
• IUPAC Name: 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate
• SMILES: C#CCC(C)(C)OC(=O)CP(OC1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cc(C)c(CC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C.C#CCC(C)(C)OC(=O)CP(OC1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cc(C)c(N)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C.C#CCC(C)(C)OC(=O)CP(OC1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1OCCOC)N(C(C)C)C(C)C
• InChI: InChI=1S/C56H68N3O11P.C48H61N6O9P.C48H63N4O10P/c1-12-31-55(7,8)69-50(61)37-71(59(38(2)3)39(4)5)70-51-49(36-67-56(42-21-17-14-18-22-42,43-23-27-45(64-10)28-24-43)44-25-29-46(65-11)30-26-44)68-53(52(51)66-33-32-63-9)58-35-40(6)47(57-54(58)62)34-48(60)41-19-15-13-16-20-41;1-11-25-47(6,7)62-40(55)29-64(54(32(2)3)33(4)5)63-42-39(61-46(43(42)59-27-26-56-8)53-31-52-41-44(49)50-30-51-45(41)53)28-60-48(34-15-13-12-14-16-34,35-17-21-37(57-9)22-18-35)36-19-23-38(58-10)24-20-36;1-12-26-47(7,8)61-41(53)31-63(52(32(2)3)33(4)5)62-42-40(60-45(43(42)58-28-27-55-9)51-29-34(6)44(49)50-46(51)54)30-59-48(35-16-14-13-15-17-35,36-18-22-38(56-10)23-19-36)37-20-24-39(57-11)25-21-37/h1,13-30,35,38-39,49,51-53H,31-34,36-37H2,2-11H3;1,12-24,30-33,39,42-43,46H,25-29H2,2-10H3,(H2,49,50,51);1,13-25,29,32-33,40,42-43,45H,26-28,30-31H2,2-11H3,(H2,49,50,54)/t49-,51?,52+,53-,71?;39-,42?,43+,46-,64?;40-,42?,43+,45-,63?/m111/s1
• InChIKey: MVJAELUDHLHBHA-AWMFHYLXSA-N
• XLogP: 23.87
• TPSA: 464.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 43
• Rotatable Bonds: 69
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2774.19
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate?

The IUPAC name of 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate (CID 163789385) is 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate.

What is the SMILES notation for 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate?

The canonical SMILES for 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate is C#CCC(C)(C)OC(=O)CP(OC1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cc(C)c(CC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C.C#CCC(C)(C)OC(=O)CP(OC1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cc(C)c(N)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C.C#CCC(C)(C)OC(=O)CP(OC1[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1OCCOC)N(C(C)C)C(C)C.

What is the InChIKey of 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate?

The InChIKey is MVJAELUDHLHBHA-AWMFHYLXSA-N. The full InChI is InChI=1S/C56H68N3O11P.C48H61N6O9P.C48H63N4O10P/c1-12-31-55(7,8)69-50(61)37-71(59(38(2)3)39(4)5)70-51-49(36-67-56(42-21-17-14-18-22-42,43-23-27-45(64-10)28-24-43)44-25-29-46(65-11)30-26-44)68-53(52(51)66-33-32-63-9)58-35-40(6)47(57-54(58)62)34-48(60)41-19-15-13-16-20-41;1-11-25-47(6,7)62-40(55)29-64(54(32(2)3)33(4)5)63-42-39(61-46(43(42)59-27-26-56-8)53-31-52-41-44(49)50-30-51-45(41)53)28-60-48(34-15-13-12-14-16-34,35-17-21-37(57-9)22-18-35)36-19-23-38(58-10)24-20-36;1-12-26-47(7,8)61-41(53)31-63(52(32(2)3)33(4)5)62-42-40(60-45(43(42)58-28-27-55-9)51-29-34(6)44(49)50-46(51)54)30-59-48(35-16-14-13-15-17-35,36-18-22-38(56-10)23-19-36)37-20-24-39(57-11)25-21-37/h1,13-30,35,38-39,49,51-53H,31-34,36-37H2,2-11H3;1,12-24,30-33,39,42-43,46H,25-29H2,2-10H3,(H2,49,50,51);1,13-25,29,32-33,40,42-43,45H,26-28,30-31H2,2-11H3,(H2,49,50,54)/t49-,51?,52+,53-,71?;39-,42?,43+,46-,64?;40-,42?,43+,45-,63?/m111/s1.

What are the key properties of 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate?

2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate has a molecular weight of 2774.19 g/mol, XLogP of 23.87, 69 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate;2-methylpent-4-yn-2-yl 2-[[(2R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-2-oxo-4-phenacylpyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate is sourced from PubChem (CID 163789385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).