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

C92H151N36O36P7 — CID 155093787

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
SMILESCc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CNCC(n5ccc(N)nc5=O)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)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)N7CCN(C(=O)OCCOCCOCCO)CC7)OC(n7ccc(N)nc7=O)C6)OC(n6cc(C)c(=O)[nH]c6=O)C5)OC(n5cnc6c(=O)[nH]c(N)nc65)C4)OC(n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C92H151N36O36P7/c1-59-36-125(89(137)104-81(59)130)75-47-118(168(144,110(10)11)153-53-64-40-116(45-73(160-64)123-22-19-70(94)100-87(123)135)166(142,108(6)7)151-51-62-34-97-35-72(158-62)122-21-18-69(93)99-86(122)134)42-66(162-75)55-155-169(145,111(12)13)119-43-67(163-76(48-119)126-37-60(2)82(131)105-90(126)138)56-156-171(147,113(16)17)121-44-68(164-78(50-121)128-58-98-79-80(128)102-85(96)103-84(79)133)57-157-170(146,112(14)15)120-41-65(161-77(49-120)127-38-61(3)83(132)106-91(127)139)54-154-167(143,109(8)9)117-39-63(159-74(46-117)124-23-20-71(95)101-88(124)136)52-152-165(141,107(4)5)115-26-24-114(25-27-115)92(140)150-33-32-149-31-30-148-29-28-129/h18-23,36-38,58,62-68,72-78,97,129H,24-35,39-57H2,1-17H3,(H2,93,99,134)(H2,94,100,135)(H2,95,101,136)(H,104,130,137)(H,105,131,138)(H,106,132,139)(H3,96,102,103,133)
InChIKeyCTRGGZPIOXTQPQ-UHFFFAOYSA-N
MW2554.25 g/mol
LogP-2.94
Rot. Bonds50

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

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (PubChem CID 155093787) has the molecular formula C92H151N36O36P7 and a molecular weight of 2554.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
PubChem CID155093787
Molecular FormulaC92H151N36O36P7
Molecular Weight2554.25 g/mol
Exact Mass2552.93
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
SMILESCc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CNCC(n5ccc(N)nc5=O)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)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)N7CCN(C(=O)OCCOCCOCCO)CC7)OC(n7ccc(N)nc7=O)C6)OC(n6cc(C)c(=O)[nH]c6=O)C5)OC(n5cnc6c(=O)[nH]c(N)nc65)C4)OC(n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C92H151N36O36P7/c1-59-36-125(89(137)104-81(59)130)75-47-118(168(144,110(10)11)153-53-64-40-116(45-73(160-64)123-22-19-70(94)100-87(123)135)166(142,108(6)7)151-51-62-34-97-35-72(158-62)122-21-18-69(93)99-86(122)134)42-66(162-75)55-155-169(145,111(12)13)119-43-67(163-76(48-119)126-37-60(2)82(131)105-90(126)138)56-156-171(147,113(16)17)121-44-68(164-78(50-121)128-58-98-79-80(128)102-85(96)103-84(79)133)57-157-170(146,112(14)15)120-41-65(161-77(49-120)127-38-61(3)83(132)106-91(127)139)54-154-167(143,109(8)9)117-39-63(159-74(46-117)124-23-20-71(95)101-88(124)136)52-152-165(141,107(4)5)115-26-24-114(25-27-115)92(140)150-33-32-149-31-30-148-29-28-129/h18-23,36-38,58,62-68,72-78,97,129H,24-35,39-57H2,1-17H3,(H2,93,99,134)(H2,94,100,135)(H2,95,101,136)(H,104,130,137)(H,105,131,138)(H,106,132,139)(H3,96,102,103,133)
InChIKeyCTRGGZPIOXTQPQ-UHFFFAOYSA-N
XLogP-2.94
TPSA811.23 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds50
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002554.25
LogP ≤ 5-2.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-4-[[(2S)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 166022460
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-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]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 153433840
diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-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]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 167631809
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 139527259
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
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(6R)-4-[[(6R)-4-[[(6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(6R)-4-[[(6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(6R)-4-[[(6R)-4-[[(6R)-6-(2,6-diamino-1,6-dihydropurin-9-yl)-4-[dimethylamino(methoxy)phosphoryl]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]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 176645203
1-[(2R,6S)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2S,6R)-2-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2R,6S)-2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167357120
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-aminobenzimidazol-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 168800832
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6S)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6S)-6-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[(4-amino-2-oxopyrimidin-1-yl)methyl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 139504414
N-[(4S)-4-amino-5-[[(4S)-4-amino-5-[[6-[[(4S)-4-amino-5-[[(4S)-4-amino-5-[[6-[[(4S)-4-amino-5-[[(4S)-4-amino-5-[[6-[[(4S)-4-amino-5-[[6-[[3-[4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-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]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-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]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazin-1-yl]-3-oxopropyl]amino]-6-oxohexyl]amino]-5-oxopentyl]amino]-6-oxohexyl]amino]-5-oxopentyl]amino]-5-oxopentyl]amino]-6-oxohexyl]amino]-5-oxopentyl]amino]-5-oxopentyl]amino]-6-oxohexyl]amino]-5-oxopentyl]amino]-5-oxopentyl]-6-[[(2S)-2,5-diaminopentanoyl]amino]hexanamide
CID 53318542
1-[(2R)-4-[[(6R)-4-[[(6R)-4-[[(6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(6R)-4-[[(6R)-4-[[(6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[dimethylamino(methoxy)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 176645184
1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-butan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 155473156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (CID 155093787) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is Cc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CNCC(n5ccc(N)nc5=O)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)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)N7CCN(C(=O)OCCOCCOCCO)CC7)OC(n7ccc(N)nc7=O)C6)OC(n6cc(C)c(=O)[nH]c6=O)C5)OC(n5cnc6c(=O)[nH]c(N)nc65)C4)OC(n4cc(C)c(=O)[nH]c4=O)C3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The InChIKey is CTRGGZPIOXTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H151N36O36P7/c1-59-36-125(89(137)104-81(59)130)75-47-118(168(144,110(10)11)153-53-64-40-116(45-73(160-64)123-22-19-70(94)100-87(123)135)166(142,108(6)7)151-51-62-34-97-35-72(158-62)122-21-18-69(93)99-86(122)134)42-66(162-75)55-155-169(145,111(12)13)119-43-67(163-76(48-119)126-37-60(2)82(131)105-90(126)138)56-156-171(147,113(16)17)121-44-68(164-78(50-121)128-58-98-79-80(128)102-85(96)103-84(79)133)57-157-170(146,112(14)15)120-41-65(161-77(49-120)127-38-61(3)83(132)106-91(127)139)54-154-167(143,109(8)9)117-39-63(159-74(46-117)124-23-20-71(95)101-88(124)136)52-152-165(141,107(4)5)115-26-24-114(25-27-115)92(140)150-33-32-149-31-30-148-29-28-129/h18-23,36-38,58,62-68,72-78,97,129H,24-35,39-57H2,1-17H3,(H2,93,99,134)(H2,94,100,135)(H2,95,101,136)(H,104,130,137)(H,105,131,138)(H,106,132,139)(H3,96,102,103,133).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate has a molecular weight of 2554.25 g/mol, XLogP of -2.94, 50 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]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]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 155093787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).