1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

C74H116N36O23P6 — CID 137072289

About 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 137072289) has the molecular formula C74H116N36O23P6 and a molecular weight of 2063.81 g/mol. Its IUPAC name is 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 137072289
• Molecular Formula: C74H116N36O23P6
• Molecular Weight: 2063.81 g/mol
• Exact Mass: 2062.74
• IUPAC Name: 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn(C2CN(C)CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CC(COP(=O)(N(C)C)N5CC(COP(=O)(N(C)C)N6CC(COP(=O)(N(C)C)N7CC(COP(C)(=O)N(C)C)OC(n8cnc9c(=O)[nH]c(N)nc98)C7)OC(n7cnc8c(N)ncnc87)C6)OC(n6cnc7c(N)ncnc76)C5)OC(n5cc(C)c(=O)[nH]c5=O)C4)OC(n4cnc5c(N)ncnc54)C3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C74H116N36O23P6/c1-44-17-105(73(114)91-69(44)111)52-25-99(15)19-46(128-52)32-123-136(118,95(7)8)102-22-49(131-54(27-102)107-40-85-58-62(75)79-37-82-65(58)107)34-125-135(117,94(5)6)100-21-48(129-53(26-100)106-18-45(2)70(112)92-74(106)115)33-124-138(120,97(11)12)103-23-51(133-55(28-103)108-41-86-59-63(76)80-38-83-66(59)108)36-127-139(121,98(13)14)104-24-50(132-56(29-104)109-42-87-60-64(77)81-39-84-67(60)109)35-126-137(119,96(9)10)101-20-47(31-122-134(16,116)93(3)4)130-57(30-101)110-43-88-61-68(110)89-72(78)90-71(61)113/h17-18,37-43,46-57H,19-36H2,1-16H3,(H2,75,79,82)(H2,76,80,83)(H2,77,81,84)(H,91,111,114)(H,92,112,115)(H3,78,89,90,113)
• InChIKey: WZGAADRRXCYBHN-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 660.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.81
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 137072289) is 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CN(C)CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CC(COP(=O)(N(C)C)N5CC(COP(=O)(N(C)C)N6CC(COP(=O)(N(C)C)N7CC(COP(C)(=O)N(C)C)OC(n8cnc9c(=O)[nH]c(N)nc98)C7)OC(n7cnc8c(N)ncnc87)C6)OC(n6cnc7c(N)ncnc76)C5)OC(n5cc(C)c(=O)[nH]c5=O)C4)OC(n4cnc5c(N)ncnc54)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is WZGAADRRXCYBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H116N36O23P6/c1-44-17-105(73(114)91-69(44)111)52-25-99(15)19-46(128-52)32-123-136(118,95(7)8)102-22-49(131-54(27-102)107-40-85-58-62(75)79-37-82-65(58)107)34-125-135(117,94(5)6)100-21-48(129-53(26-100)106-18-45(2)70(112)92-74(106)115)33-124-138(120,97(11)12)103-23-51(133-55(28-103)108-41-86-59-63(76)80-38-83-66(59)108)36-127-139(121,98(13)14)104-24-50(132-56(29-104)109-42-87-60-64(77)81-39-84-67(60)109)35-126-137(119,96(9)10)101-20-47(31-122-134(16,116)93(3)4)130-57(30-101)110-43-88-61-68(110)89-72(78)90-71(61)113/h17-18,37-43,46-57H,19-36H2,1-16H3,(H2,75,79,82)(H2,76,80,83)(H2,77,81,84)(H,91,111,114)(H,92,112,115)(H3,78,89,90,113).

What are the key properties of 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione?

1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2063.81 g/mol, XLogP of 0.34, 35 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[[2-[[[2-[[[2-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 137072289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).