1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C96H134N36O29P8 — CID 157403314

About 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 157403314) has the molecular formula C96H134N36O29P8 and a molecular weight of 2504.14 g/mol. Its IUPAC name is 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 157403314
• Molecular Formula: C96H134N36O29P8
• Molecular Weight: 2504.14 g/mol
• Exact Mass: 2502.80
• IUPAC Name: 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1ccn(C2CN(P(C)(=O)OCC3CN(P(C)(=O)OCC4CN(P(C)(=O)OCC5CN(P(C)(=O)OCC6CN(P(C)(=O)OCC7CN(C)CC(n8cnc9c(C)ncnc98)O7)CC(n7cnc8c(=O)[nH]c(C)nc87)O6)CC(n6cnc7c(=O)[nH]c(C)nc76)O5)CC(n5cnc6c(C)ncnc65)O4)CC(n4cnc5c(C)ncnc54)O3)CC(COP(C)(=O)N3CC(COP(C)(=O)N4CC(COP(C)(C)=O)OC(n5cnc6c(C)ncnc65)C4)OC(n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)n1
• InChI: InChI=1S/C96H134N36O29P8/c1-56-21-126(96(137)116-92(56)133)74-32-119(25-67(156-74)41-149-166(15,142)120-23-65(38-146-162(10,11)138)157-75(33-120)128-51-106-81-59(4)98-47-102-87(81)128)164(13,140)148-40-66-24-118(31-73(155-66)125-20-19-57(2)111-95(125)136)163(12,139)150-42-68-26-121(34-76(158-68)129-52-107-82-60(5)99-48-103-88(82)129)167(16,143)151-43-69-27-122(35-77(159-69)130-53-108-83-61(6)100-49-104-89(83)130)168(17,144)152-44-71-29-124(37-79(161-71)132-55-110-85-91(132)113-63(8)115-94(85)135)169(18,145)153-45-70-28-123(36-78(160-70)131-54-109-84-90(131)112-62(7)114-93(84)134)165(14,141)147-39-64-22-117(9)30-72(154-64)127-50-105-80-58(3)97-46-101-86(80)127/h19-21,46-55,64-79H,22-45H2,1-18H3,(H,112,114,134)(H,113,115,135)(H,116,133,137)
• InChIKey: BNKSDEWCZNZNDA-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 701.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 55
• Rotatable Bonds: 39
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2504.14
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 157403314) is 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1ccn(C2CN(P(C)(=O)OCC3CN(P(C)(=O)OCC4CN(P(C)(=O)OCC5CN(P(C)(=O)OCC6CN(P(C)(=O)OCC7CN(C)CC(n8cnc9c(C)ncnc98)O7)CC(n7cnc8c(=O)[nH]c(C)nc87)O6)CC(n6cnc7c(=O)[nH]c(C)nc76)O5)CC(n5cnc6c(C)ncnc65)O4)CC(n4cnc5c(C)ncnc54)O3)CC(COP(C)(=O)N3CC(COP(C)(=O)N4CC(COP(C)(C)=O)OC(n5cnc6c(C)ncnc65)C4)OC(n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)n1.

What is the InChIKey of 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is BNKSDEWCZNZNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H134N36O29P8/c1-56-21-126(96(137)116-92(56)133)74-32-119(25-67(156-74)41-149-166(15,142)120-23-65(38-146-162(10,11)138)157-75(33-120)128-51-106-81-59(4)98-47-102-87(81)128)164(13,140)148-40-66-24-118(31-73(155-66)125-20-19-57(2)111-95(125)136)163(12,139)150-42-68-26-121(34-76(158-68)129-52-107-82-60(5)99-48-103-88(82)129)167(16,143)151-43-69-27-122(35-77(159-69)130-53-108-83-61(6)100-49-104-89(83)130)168(17,144)152-44-71-29-124(37-79(161-71)132-55-110-85-91(132)113-63(8)115-94(85)135)169(18,145)153-45-70-28-123(36-78(160-70)131-54-109-84-90(131)112-62(7)114-93(84)134)165(14,141)147-39-64-22-117(9)30-72(154-64)127-50-105-80-58(3)97-46-101-86(80)127/h19-21,46-55,64-79H,22-45H2,1-18H3,(H,112,114,134)(H,113,115,135)(H,116,133,137).

What are the key properties of 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2504.14 g/mol, XLogP of 6.54, 39 rotatable bonds, 3 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[[2-(dimethylphosphoryloxymethyl)-6-(6-methylpurin-9-yl)morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-[methyl-[[4-methyl-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(2-methyl-6-oxo-1H-purin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(6-methylpurin-9-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(4-methyl-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 157403314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).