2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

C94H156N39O35P7 — CID 177124682

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (PubChem CID 177124682) has the molecular formula C94H156N39O35P7 and a molecular weight of 2609.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
• PubChem CID: 177124682
• Molecular Formula: C94H156N39O35P7
• Molecular Weight: 2609.34 g/mol
• Exact Mass: 2607.98
• IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
• 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(=O)(N(C)C)N8CC(COP(=O)(N(C)C)N9CCN(C(=O)OCCOCCOCCO)CC9)OC(n9cnc%10c(=O)[nH]c(N)nc%109)C8)OC(n8cc(C)c(=O)[nH]c8=O)C7)OC(n7cc(C)c(=O)[nH]c7=O)C6)OC(n6cnc7c6NC(N)=NC7N)C5)OC(n5ccc(N)nc5=O)C4)OC(n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C94H156N39O35P7/c1-59-33-129(91(141)108-83(59)135)71-43-118(18)36-62(162-71)50-156-170(146,112(6)7)121-37-63(163-72(44-121)127-21-19-69(95)102-89(127)139)52-157-171(147,113(8)9)122-38-64(164-73(45-122)128-22-20-70(96)103-90(128)140)53-158-174(150,116(14)15)125-42-68(167-76(48-125)132-57-100-78-80(97)104-87(98)105-81(78)132)56-161-173(149,115(12)13)124-39-65(165-75(47-124)131-35-61(3)85(137)110-93(131)143)54-159-172(148,114(10)11)123-40-66(166-74(46-123)130-34-60(2)84(136)109-92(130)142)55-160-175(151,117(16)17)126-41-67(168-77(49-126)133-58-101-79-82(133)106-88(99)107-86(79)138)51-155-169(145,111(4)5)120-25-23-119(24-26-120)94(144)154-32-31-153-30-29-152-28-27-134/h19-22,33-35,57-58,62-68,71-77,80,134H,23-32,36-56,97H2,1-18H3,(H2,95,102,139)(H2,96,103,140)(H3,98,104,105)(H,108,135,141)(H,109,136,142)(H,110,137,143)(H3,99,106,107,138)
• InChIKey: XGEOFXCWFTZSLA-UHFFFAOYSA-N
• XLogP: -2.84
• TPSA: 835.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 55
• Rotatable Bonds: 50
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.34
LogP ≤ 5	-2.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?

The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (CID 177124682) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.

What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?

The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate 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(=O)(N(C)C)N8CC(COP(=O)(N(C)C)N9CCN(C(=O)OCCOCCOCCO)CC9)OC(n9cnc%10c(=O)[nH]c(N)nc%109)C8)OC(n8cc(C)c(=O)[nH]c8=O)C7)OC(n7cc(C)c(=O)[nH]c7=O)C6)OC(n6cnc7c6NC(N)=NC7N)C5)OC(n5ccc(N)nc5=O)C4)OC(n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?

The InChIKey is XGEOFXCWFTZSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H156N39O35P7/c1-59-33-129(91(141)108-83(59)135)71-43-118(18)36-62(162-71)50-156-170(146,112(6)7)121-37-63(163-72(44-121)127-21-19-69(95)102-89(127)139)52-157-171(147,113(8)9)122-38-64(164-73(45-122)128-22-20-70(96)103-90(128)140)53-158-174(150,116(14)15)125-42-68(167-76(48-125)132-57-100-78-80(97)104-87(98)105-81(78)132)56-161-173(149,115(12)13)124-39-65(165-75(47-124)131-35-61(3)85(137)110-93(131)143)54-159-172(148,114(10)11)123-40-66(166-74(46-123)130-34-60(2)84(136)109-92(130)142)55-160-175(151,117(16)17)126-41-67(168-77(49-126)133-58-101-79-82(133)106-88(99)107-86(79)138)51-155-169(145,111(4)5)120-25-23-119(24-26-120)94(144)154-32-31-153-30-29-152-28-27-134/h19-22,33-35,57-58,62-68,71-77,80,134H,23-32,36-56,97H2,1-18H3,(H2,95,102,139)(H2,96,103,140)(H3,98,104,105)(H,108,135,141)(H,109,136,142)(H,110,137,143)(H3,99,106,107,138).

What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate has a molecular weight of 2609.34 g/mol, XLogP of -2.84, 50 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(2,6-diamino-3,6-dihydropurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 177124682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).