1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane

C170H233BrN43O83P14S15-13 — CID 167645138

IUPAC1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane
SMILESCC(C)(C)C.CO[C@H]1C(OP(=O)([S-])OCCCO)[C@@H](COP([O-])(=S)OC2[C@@H](COP([O-])(=S)OC3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC(C)C)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H]2OC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.Cc1cn([C@H]2CC(OP(=S)(OCCOCCOCCCC(=O)C(C)C)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)CC3C(C)C)[C@@H](COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC3[C@@H](COP([O-])(=S)OC4C[C@H](n5cc(Br)c(=O)[nH]c5=O)O[C@@H]4CO)O[C@@H](n4ccc(N)nc4=O)[C@H]3C)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2CC(OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)CC3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)CC3OP(=S)([S-])OC[C@H]3O[C@@H](n4ccc(N)nc4=O)CC3C(C)C)[C@@H](COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C62H88BrN15O28P4S4.C55H76N17O26P5S6.C48H70N11O29P5S5.C5H12/c1-30(2)34-18-47(74-11-9-45(64)68-59(74)84)99-41(34)25-97-110(114,93-17-16-92-15-14-91-13-7-8-36(80)31(3)4)105-39-21-48(76-22-32(5)54(81)72-61(76)86)100-43(39)27-94-107(88,111)104-38-20-50(78-29-67-51-53(78)70-58(66)71-56(51)83)101-42(38)26-95-109(90,113)106-52-33(6)57(75-12-10-46(65)69-60(75)85)102-44(52)28-96-108(89,112)103-37-19-49(98-40(37)24-79)77-23-35(63)55(82)73-62(77)87;1-23(2)27-9-38(68-8-7-37(56)61-53(68)77)89-32(27)16-88-103(108,109)98-31-13-40(70-15-26(6)48(74)67-55(70)79)91-36(31)20-87-102(83,107)97-30-12-42(72-22-60-44-46(72)63-52(58)65-50(44)76)93-35(30)19-86-100(81,105)95-28-10-39(69-14-25(5)47(73)66-54(69)78)90-33(28)18-85-101(82,106)96-29-11-41(92-34(29)17-84-99(80,104)94-24(3)4)71-21-59-43-45(71)62-51(57)64-49(43)75;1-21(2)84-90(69,95)76-16-28-26(12-32(81-28)59-20-50-33-38(59)51-45(49)52-42(33)64)86-91(70,96)77-17-27-25(11-31(80-27)56-13-22(3)39(61)53-46(56)65)85-92(71,97)78-18-29-35(37(74-7)44(82-29)58-15-24(5)41(63)55-48(58)67)88-93(72,98)79-19-30-34(87-89(68,94)75-10-8-9-60)36(73-6)43(83-30)57-14-23(4)40(62)54-47(57)66;1-5(2,3)4/h9-12,22-23,29-31,33-34,37-44,47-50,52,57,79H,7-8,13-21,24-28H2,1-6H3,(H,88,111)(H,89,112)(H,90,113)(H2,64,68,84)(H2,65,69,85)(H,72,81,86)(H,73,82,87)(H3,66,70,71,83);7-8,14-15,21-24,27-36,38-42H,9-13,16-20H2,1-6H3,(H,80,104)(H,81,105)(H,82,106)(H,83,107)(H,108,109)(H2,56,61,77)(H,66,73,78)(H,67,74,79)(H3,57,62,64,75)(H3,58,63,65,76);13-15,20-21,25-32,34-37,43-44,60H,8-12,16-19H2,1-7H3,(H,68,94)(H,69,95)(H,70,96)(H,71,97)(H,72,98)(H,53,61,65)(H,54,62,66)(H,55,63,67)(H3,49,51,52,64);1-4H3/p-13/t33-,34?,37?,38?,39?,40+,41+,42+,43+,44+,47+,48+,49+,50+,52?,57+,107?,108?,109?,110?;27?,28?,29?,30?,31?,32-,33-,34-,35-,36-,38-,39-,40-,41-,42-,99?,100?,101?,102?;25?,26?,27-,28-,29-,30-,31-,32-,34?,35?,36+,37+,43-,44-,89?,90?,91?,92?,93?;/m011./s1
InChIKeyPTHZNHWCMDKFMQ-AOZCEJPJSA-A
MW5201.50 g/mol
LogP-1.86
Rot. Bonds102

About 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane

1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane (PubChem CID 167645138) has the molecular formula C170H233BrN43O83P14S15-13 and a molecular weight of 5201.50 g/mol. Its IUPAC name is 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane.

Molecular Properties

Compound Name1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane
PubChem CID167645138
Molecular FormulaC170H233BrN43O83P14S15-13
Molecular Weight5201.50 g/mol
Exact Mass5196.67
IUPAC Name1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane
SMILESCC(C)(C)C.CO[C@H]1C(OP(=O)([S-])OCCCO)[C@@H](COP([O-])(=S)OC2[C@@H](COP([O-])(=S)OC3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC(C)C)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H]2OC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.Cc1cn([C@H]2CC(OP(=S)(OCCOCCOCCCC(=O)C(C)C)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)CC3C(C)C)[C@@H](COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC3[C@@H](COP([O-])(=S)OC4C[C@H](n5cc(Br)c(=O)[nH]c5=O)O[C@@H]4CO)O[C@@H](n4ccc(N)nc4=O)[C@H]3C)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2CC(OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)CC3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)CC3OP(=S)([S-])OC[C@H]3O[C@@H](n4ccc(N)nc4=O)CC3C(C)C)[C@@H](COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C62H88BrN15O28P4S4.C55H76N17O26P5S6.C48H70N11O29P5S5.C5H12/c1-30(2)34-18-47(74-11-9-45(64)68-59(74)84)99-41(34)25-97-110(114,93-17-16-92-15-14-91-13-7-8-36(80)31(3)4)105-39-21-48(76-22-32(5)54(81)72-61(76)86)100-43(39)27-94-107(88,111)104-38-20-50(78-29-67-51-53(78)70-58(66)71-56(51)83)101-42(38)26-95-109(90,113)106-52-33(6)57(75-12-10-46(65)69-60(75)85)102-44(52)28-96-108(89,112)103-37-19-49(98-40(37)24-79)77-23-35(63)55(82)73-62(77)87;1-23(2)27-9-38(68-8-7-37(56)61-53(68)77)89-32(27)16-88-103(108,109)98-31-13-40(70-15-26(6)48(74)67-55(70)79)91-36(31)20-87-102(83,107)97-30-12-42(72-22-60-44-46(72)63-52(58)65-50(44)76)93-35(30)19-86-100(81,105)95-28-10-39(69-14-25(5)47(73)66-54(69)78)90-33(28)18-85-101(82,106)96-29-11-41(92-34(29)17-84-99(80,104)94-24(3)4)71-21-59-43-45(71)62-51(57)64-49(43)75;1-21(2)84-90(69,95)76-16-28-26(12-32(81-28)59-20-50-33-38(59)51-45(49)52-42(33)64)86-91(70,96)77-17-27-25(11-31(80-27)56-13-22(3)39(61)53-46(56)65)85-92(71,97)78-18-29-35(37(74-7)44(82-29)58-15-24(5)41(63)55-48(58)67)88-93(72,98)79-19-30-34(87-89(68,94)75-10-8-9-60)36(73-6)43(83-30)57-14-23(4)40(62)54-47(57)66;1-5(2,3)4/h9-12,22-23,29-31,33-34,37-44,47-50,52,57,79H,7-8,13-21,24-28H2,1-6H3,(H,88,111)(H,89,112)(H,90,113)(H2,64,68,84)(H2,65,69,85)(H,72,81,86)(H,73,82,87)(H3,66,70,71,83);7-8,14-15,21-24,27-36,38-42H,9-13,16-20H2,1-6H3,(H,80,104)(H,81,105)(H,82,106)(H,83,107)(H,108,109)(H2,56,61,77)(H,66,73,78)(H,67,74,79)(H3,57,62,64,75)(H3,58,63,65,76);13-15,20-21,25-32,34-37,43-44,60H,8-12,16-19H2,1-7H3,(H,68,94)(H,69,95)(H,70,96)(H,71,97)(H,72,98)(H,53,61,65)(H,54,62,66)(H,55,63,67)(H3,49,51,52,64);1-4H3/p-13/t33-,34?,37?,38?,39?,40+,41+,42+,43+,44+,47+,48+,49+,50+,52?,57+,107?,108?,109?,110?;27?,28?,29?,30?,31?,32-,33-,34-,35-,36-,38-,39-,40-,41-,42-,99?,100?,101?,102?;25?,26?,27-,28-,29-,30-,31-,32-,34?,35?,36+,37+,43-,44-,89?,90?,91?,92?,93?;/m011./s1
InChIKeyPTHZNHWCMDKFMQ-AOZCEJPJSA-A
XLogP-1.86
TPSA1687.18 Ų
H-Bond Donors20
H-Bond Acceptors130
Rotatable Bonds102
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005201.50
LogP ≤ 5-1.86
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 10130

Analyze 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane with MolForge

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Related Compounds

N-[2-[2-[2-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxyethoxy]ethoxy]ethyl]-4-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-aminopropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]butanamide
CID 170941430
N-[2-[2-[2-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxyethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 166039929
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxyethoxy]ethoxy]ethyl]propanamide
CID 166039944
1-[(2R,4R,5R)-4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174134983
1-[(2R,5R)-4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174143710
1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166039931
1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]oxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 167542442
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxyethoxy]ethoxy]ethyl]propanamide
CID 166039949
1-[(2R,4R,5R)-4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy-[[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174134982
1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(oxido)phosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfidophosphoryl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 172512725
3-(2-aminoethoxy)-N-[2-[2-[2-[[(2R,5R)-2-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy]phosphinothioyl]oxyethoxy]ethoxy]ethyl]propanamide
CID 169302582
1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,5R)-2-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[propan-2-yloxy(sulfido)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169302563

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane?
The IUPAC name of 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane (CID 167645138) is 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane.
What is the SMILES notation for 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane?
The canonical SMILES for 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane is CC(C)(C)C.CO[C@H]1C(OP(=O)([S-])OCCCO)[C@@H](COP([O-])(=S)OC2[C@@H](COP([O-])(=S)OC3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC(C)C)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H]2OC)O[C@H]1n1cc(C)c(=O)[nH]c1=O.Cc1cn([C@H]2CC(OP(=S)(OCCOCCOCCCC(=O)C(C)C)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)CC3C(C)C)[C@@H](COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC3[C@@H](COP([O-])(=S)OC4C[C@H](n5cc(Br)c(=O)[nH]c5=O)O[C@@H]4CO)O[C@@H](n4ccc(N)nc4=O)[C@H]3C)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2CC(OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)CC3OP([O-])(=S)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)CC3OP(=S)([S-])OC[C@H]3O[C@@H](n4ccc(N)nc4=O)CC3C(C)C)[C@@H](COP([O-])(=S)OC3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)OC(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane?
The InChIKey is PTHZNHWCMDKFMQ-AOZCEJPJSA-A. The full InChI is InChI=1S/C62H88BrN15O28P4S4.C55H76N17O26P5S6.C48H70N11O29P5S5.C5H12/c1-30(2)34-18-47(74-11-9-45(64)68-59(74)84)99-41(34)25-97-110(114,93-17-16-92-15-14-91-13-7-8-36(80)31(3)4)105-39-21-48(76-22-32(5)54(81)72-61(76)86)100-43(39)27-94-107(88,111)104-38-20-50(78-29-67-51-53(78)70-58(66)71-56(51)83)101-42(38)26-95-109(90,113)106-52-33(6)57(75-12-10-46(65)69-60(75)85)102-44(52)28-96-108(89,112)103-37-19-49(98-40(37)24-79)77-23-35(63)55(82)73-62(77)87;1-23(2)27-9-38(68-8-7-37(56)61-53(68)77)89-32(27)16-88-103(108,109)98-31-13-40(70-15-26(6)48(74)67-55(70)79)91-36(31)20-87-102(83,107)97-30-12-42(72-22-60-44-46(72)63-52(58)65-50(44)76)93-35(30)19-86-100(81,105)95-28-10-39(69-14-25(5)47(73)66-54(69)78)90-33(28)18-85-101(82,106)96-29-11-41(92-34(29)17-84-99(80,104)94-24(3)4)71-21-59-43-45(71)62-51(57)64-49(43)75;1-21(2)84-90(69,95)76-16-28-26(12-32(81-28)59-20-50-33-38(59)51-45(49)52-42(33)64)86-91(70,96)77-17-27-25(11-31(80-27)56-13-22(3)39(61)53-46(56)65)85-92(71,97)78-18-29-35(37(74-7)44(82-29)58-15-24(5)41(63)55-48(58)67)88-93(72,98)79-19-30-34(87-89(68,94)75-10-8-9-60)36(73-6)43(83-30)57-14-23(4)40(62)54-47(57)66;1-5(2,3)4/h9-12,22-23,29-31,33-34,37-44,47-50,52,57,79H,7-8,13-21,24-28H2,1-6H3,(H,88,111)(H,89,112)(H,90,113)(H2,64,68,84)(H2,65,69,85)(H,72,81,86)(H,73,82,87)(H3,66,70,71,83);7-8,14-15,21-24,27-36,38-42H,9-13,16-20H2,1-6H3,(H,80,104)(H,81,105)(H,82,106)(H,83,107)(H,108,109)(H2,56,61,77)(H,66,73,78)(H,67,74,79)(H3,57,62,64,75)(H3,58,63,65,76);13-15,20-21,25-32,34-37,43-44,60H,8-12,16-19H2,1-7H3,(H,68,94)(H,69,95)(H,70,96)(H,71,97)(H,72,98)(H,53,61,65)(H,54,62,66)(H,55,63,67)(H3,49,51,52,64);1-4H3/p-13/t33-,34?,37?,38?,39?,40+,41+,42+,43+,44+,47+,48+,49+,50+,52?,57+,107?,108?,109?,110?;27?,28?,29?,30?,31?,32-,33-,34-,35-,36-,38-,39-,40-,41-,42-,99?,100?,101?,102?;25?,26?,27-,28-,29-,30-,31-,32-,34?,35?,36+,37+,43-,44-,89?,90?,91?,92?,93?;/m011./s1.
What are the key properties of 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane?
1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane has a molecular weight of 5201.50 g/mol, XLogP of -1.86, 102 rotatable bonds, 20 hydrogen bond donors, and 130 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-4-[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,5R)-3-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-propan-2-yloxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[[[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[oxido(propan-2-yloxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-[[(2R,4S,5R)-3-[[(2R,4S,5R)-3-[3-hydroxypropoxy(sulfido)phosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,2-dimethylpropane is sourced from PubChem (CID 167645138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).