2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one

C110H176N63O29P9 — CID 159227141

IUPAC2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one
SMILESCN1CC(CCOP(=O)(N(C)C)N2CC(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)N9CC(COP(C)(=O)N(C)C)OC(n%10ccc(N)nc%10=O)C9)OC(n9cnc%10c(N)ncnc%109)C8)OC(n8cnc9c(N)ncnc98)C7)OC(n7cnc8c7N=C(N)NC8N)C6)OC(n6cnc7c6N=C(N)NC7N)C5)OC(n5cnc6c(N)ncnc65)C4)OC(n4cnc5c(N)ncnc54)C3)OC(n3cnc4c(=O)[nH]c(N)nc43)C2)OC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C110H176N63O29P9/c1-147(2)203(20,176)186-43-65-26-158(35-75(195-65)165-23-21-73(111)140-110(165)175)205(178,149(5)6)187-45-67-28-160(37-76(196-67)167-57-133-84-92(113)123-52-128-99(84)167)207(180,151(9)10)189-47-69-30-162(39-79(198-69)170-60-136-87-95(116)126-55-131-102(87)170)209(182,153(13)14)192-49-71-32-164(42-81(200-71)172-62-138-89-97(118)142-108(120)144-104(89)172)211(184,155(17)18)193-50-72-33-163(41-80(201-72)171-61-137-88-96(117)141-107(119)143-103(88)171)210(183,154(15)16)191-48-70-31-161(38-78(199-70)169-59-135-86-94(115)125-54-130-101(86)169)208(181,152(11)12)190-46-68-29-159(36-77(197-68)168-58-134-85-93(114)124-53-129-100(85)168)206(179,150(7)8)188-44-66-27-157(40-82(202-66)173-63-139-90-105(173)145-109(121)146-106(90)174)204(177,148(3)4)185-24-22-64-25-156(19)34-74(194-64)166-56-132-83-91(112)122-51-127-98(83)166/h21,23,51-72,74-82,96-97H,22,24-50,117-118H2,1-20H3,(H2,111,140,175)(H2,112,122,127)(H2,113,123,128)(H2,114,124,129)(H2,115,125,130)(H2,116,126,131)(H3,119,141,143)(H3,120,142,144)(H3,121,145,146,174)
InChIKeyKSKWGBFCZDVFHG-UHFFFAOYSA-N
MW3123.80 g/mol
LogP0.16
Rot. Bonds54

About 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one

2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one (PubChem CID 159227141) has the molecular formula C110H176N63O29P9 and a molecular weight of 3123.80 g/mol. Its IUPAC name is 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one
PubChem CID159227141
Molecular FormulaC110H176N63O29P9
Molecular Weight3123.80 g/mol
Exact Mass3122.19
IUPAC Name2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one
SMILESCN1CC(CCOP(=O)(N(C)C)N2CC(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)N9CC(COP(C)(=O)N(C)C)OC(n%10ccc(N)nc%10=O)C9)OC(n9cnc%10c(N)ncnc%109)C8)OC(n8cnc9c(N)ncnc98)C7)OC(n7cnc8c7N=C(N)NC8N)C6)OC(n6cnc7c6N=C(N)NC7N)C5)OC(n5cnc6c(N)ncnc65)C4)OC(n4cnc5c(N)ncnc54)C3)OC(n3cnc4c(=O)[nH]c(N)nc43)C2)OC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C110H176N63O29P9/c1-147(2)203(20,176)186-43-65-26-158(35-75(195-65)165-23-21-73(111)140-110(165)175)205(178,149(5)6)187-45-67-28-160(37-76(196-67)167-57-133-84-92(113)123-52-128-99(84)167)207(180,151(9)10)189-47-69-30-162(39-79(198-69)170-60-136-87-95(116)126-55-131-102(87)170)209(182,153(13)14)192-49-71-32-164(42-81(200-71)172-62-138-89-97(118)142-108(120)144-104(89)172)211(184,155(17)18)193-50-72-33-163(41-80(201-72)171-61-137-88-96(117)141-107(119)143-103(88)171)210(183,154(15)16)191-48-70-31-161(38-78(199-70)169-59-135-86-94(115)125-54-130-101(86)169)208(181,152(11)12)190-46-68-29-159(36-77(197-68)168-58-134-85-93(114)124-53-129-100(85)168)206(179,150(7)8)188-44-66-27-157(40-82(202-66)173-63-139-90-105(173)145-109(121)146-106(90)174)204(177,148(3)4)185-24-22-64-25-156(19)34-74(194-64)166-56-132-83-91(112)122-51-127-98(83)166/h21,23,51-72,74-82,96-97H,22,24-50,117-118H2,1-20H3,(H2,111,140,175)(H2,112,122,127)(H2,113,123,128)(H2,114,124,129)(H2,115,125,130)(H2,116,126,131)(H3,119,141,143)(H3,120,142,144)(H3,121,145,146,174)
InChIKeyKSKWGBFCZDVFHG-UHFFFAOYSA-N
XLogP0.16
TPSA1065.19 Ų
H-Bond Donors14
H-Bond Acceptors74
Rotatable Bonds54
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003123.80
LogP ≤ 50.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1074

Computed Properties (RDKit)

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

Analyze 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-9-[(2R,6S)-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-propan-2-ylmorpholin-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-[[dimethylamino(methyl)phosphoryl]oxymethyl]morpholin-2-yl]-1H-purin-6-one
CID 137245047
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
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
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
4-amino-1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)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-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-propan-2-ylmorpholin-2-yl]pyrimidin-2-one
CID 155764212
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
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
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
N-[9-[6-[[[2-[[[2-[[[(2-amino-2-oxoethyl)-methylamino]-(dimethylamino)phosphoryl]oxymethyl]-6-(4-amino-2-oxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 168835720
1-[6-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-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]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(6-aminopurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(6-aminopurin-9-yl)-4-butan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 146356764

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one (CID 159227141) is 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one is CN1CC(CCOP(=O)(N(C)C)N2CC(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)N9CC(COP(C)(=O)N(C)C)OC(n%10ccc(N)nc%10=O)C9)OC(n9cnc%10c(N)ncnc%109)C8)OC(n8cnc9c(N)ncnc98)C7)OC(n7cnc8c7N=C(N)NC8N)C6)OC(n6cnc7c6N=C(N)NC7N)C5)OC(n5cnc6c(N)ncnc65)C4)OC(n4cnc5c(N)ncnc54)C3)OC(n3cnc4c(=O)[nH]c(N)nc43)C2)OC(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one?
The InChIKey is KSKWGBFCZDVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H176N63O29P9/c1-147(2)203(20,176)186-43-65-26-158(35-75(195-65)165-23-21-73(111)140-110(165)175)205(178,149(5)6)187-45-67-28-160(37-76(196-67)167-57-133-84-92(113)123-52-128-99(84)167)207(180,151(9)10)189-47-69-30-162(39-79(198-69)170-60-136-87-95(116)126-55-131-102(87)170)209(182,153(13)14)192-49-71-32-164(42-81(200-71)172-62-138-89-97(118)142-108(120)144-104(89)172)211(184,155(17)18)193-50-72-33-163(41-80(201-72)171-61-137-88-96(117)141-107(119)143-103(88)171)210(183,154(15)16)191-48-70-31-161(38-78(199-70)169-59-135-86-94(115)125-54-130-101(86)169)208(181,152(11)12)190-46-68-29-159(36-77(197-68)168-58-134-85-93(114)124-53-129-100(85)168)206(179,150(7)8)188-44-66-27-157(40-82(202-66)173-63-139-90-105(173)145-109(121)146-106(90)174)204(177,148(3)4)185-24-22-64-25-156(19)34-74(194-64)166-56-132-83-91(112)122-51-127-98(83)166/h21,23,51-72,74-82,96-97H,22,24-50,117-118H2,1-20H3,(H2,111,140,175)(H2,112,122,127)(H2,113,123,128)(H2,114,124,129)(H2,115,125,130)(H2,116,126,131)(H3,119,141,143)(H3,120,142,144)(H3,121,145,146,174).
What are the key properties of 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one?
2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one has a molecular weight of 3123.80 g/mol, XLogP of 0.16, 54 rotatable bonds, 14 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[6-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-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-(2,6-diamino-1,6-dihydropurin-9-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]-6-(2,6-diamino-1,6-dihydropurin-9-yl)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]-4-[2-[6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]ethoxy-(dimethylamino)phosphoryl]morpholin-2-yl]-1H-purin-6-one is sourced from PubChem (CID 159227141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).