[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane

C173H222N35O71P9S6 — CID 167549026

IUPAC[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane
SMILESC.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OCCOC)[C@H]1OP(=O)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OCCOC)[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C)O[C@@H]1C(OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC[N+]#[C-])O[C@@H]1C(OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=S)(OCC[N+]#[C-])O[C@@H]1C(OCCOC)[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1COC(c1ccccc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C172H218N35O71P9S6.CH4/c1-96(2)145(208)186-162-184-143-131(155(218)188-162)182-94-206(143)130-75-115(273-285(291,248-58-49-179-22)256-86-117-112(72-127(261-117)199-77-102(9)148(211)191-165(199)221)270-282(288,245-55-46-176-19)254-85-116-100(7)71-126(260-116)198-76-101(8)147(210)190-164(198)220)120(264-130)88-257-284(290,247-57-48-178-21)271-113-73-128(200-78-103(10)149(212)192-166(200)222)262-118(113)87-255-283(289,246-56-47-177-20)272-114-74-129(201-79-104(11)150(213)193-167(201)223)263-119(114)89-258-286(292,249-59-50-180-23)278-137-124(268-160(141(137)239-69-64-234-28)205-83-108(15)154(217)197-171(205)227)92-253-281(230,244-54-45-175-18)275-134-122(266-158(139(134)237-67-62-232-26)203-81-106(13)152(215)195-169(203)225)90-251-279(228,242-52-43-173-16)274-133-123(267-157(138(133)236-66-61-231-25)202-80-105(12)151(214)194-168(202)224)91-252-280(229,243-53-44-174-17)276-135-125(269-159(140(135)238-68-63-233-27)204-82-107(14)153(216)196-170(204)226)93-259-287(293,250-60-51-181-24)277-136-121(84-241-172(109-33-31-30-32-34-109,110-39-35-98(5)36-40-110)111-41-37-99(6)38-42-111)265-161(142(136)240-70-65-235-29)207-95-183-132-144(207)185-163(189-156(132)219)187-146(209)97(3)4;/h30-42,76-83,94-97,100,112-130,133-142,157-161H,43-75,84-93H2,1-15,25-29H3,(H,190,210,220)(H,191,211,221)(H,192,212,222)(H,193,213,223)(H,194,214,224)(H,195,215,225)(H,196,216,226)(H,197,217,227)(H2,184,186,188,208,218)(H2,185,187,189,209,219);1H4/t100-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,133+,134+,135+,136+,137+,138?,139?,140?,141?,142?,157-,158-,159-,160-,161-,279?,280?,281?,282?,283?,284?,285?,286?,287?;/m1./s1
InChIKeyCEBOFFXIUOEGJP-QBJTZWGSSA-N
MW4399.02 g/mol
LogP12.00
Rot. Bonds112

About [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane

[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane (PubChem CID 167549026) has the molecular formula C173H222N35O71P9S6 and a molecular weight of 4399.02 g/mol. Its IUPAC name is [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane.

Molecular Properties

Compound Name[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane
PubChem CID167549026
Molecular FormulaC173H222N35O71P9S6
Molecular Weight4399.02 g/mol
Exact Mass4396.08
IUPAC Name[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane
SMILESC.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OCCOC)[C@H]1OP(=O)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OCCOC)[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C)O[C@@H]1C(OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC[N+]#[C-])O[C@@H]1C(OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=S)(OCC[N+]#[C-])O[C@@H]1C(OCCOC)[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1COC(c1ccccc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C172H218N35O71P9S6.CH4/c1-96(2)145(208)186-162-184-143-131(155(218)188-162)182-94-206(143)130-75-115(273-285(291,248-58-49-179-22)256-86-117-112(72-127(261-117)199-77-102(9)148(211)191-165(199)221)270-282(288,245-55-46-176-19)254-85-116-100(7)71-126(260-116)198-76-101(8)147(210)190-164(198)220)120(264-130)88-257-284(290,247-57-48-178-21)271-113-73-128(200-78-103(10)149(212)192-166(200)222)262-118(113)87-255-283(289,246-56-47-177-20)272-114-74-129(201-79-104(11)150(213)193-167(201)223)263-119(114)89-258-286(292,249-59-50-180-23)278-137-124(268-160(141(137)239-69-64-234-28)205-83-108(15)154(217)197-171(205)227)92-253-281(230,244-54-45-175-18)275-134-122(266-158(139(134)237-67-62-232-26)203-81-106(13)152(215)195-169(203)225)90-251-279(228,242-52-43-173-16)274-133-123(267-157(138(133)236-66-61-231-25)202-80-105(12)151(214)194-168(202)224)91-252-280(229,243-53-44-174-17)276-135-125(269-159(140(135)238-68-63-233-27)204-82-107(14)153(216)196-170(204)226)93-259-287(293,250-60-51-181-24)277-136-121(84-241-172(109-33-31-30-32-34-109,110-39-35-98(5)36-40-110)111-41-37-99(6)38-42-111)265-161(142(136)240-70-65-235-29)207-95-183-132-144(207)185-163(189-156(132)219)187-146(209)97(3)4;/h30-42,76-83,94-97,100,112-130,133-142,157-161H,43-75,84-93H2,1-15,25-29H3,(H,190,210,220)(H,191,211,221)(H,192,212,222)(H,193,213,223)(H,194,214,224)(H,195,215,225)(H,196,216,226)(H,197,217,227)(H2,184,186,188,208,218)(H2,185,187,189,209,219);1H4/t100-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,133+,134+,135+,136+,137+,138?,139?,140?,141?,142?,157-,158-,159-,160-,161-,279?,280?,281?,282?,283?,284?,285?,286?,287?;/m1./s1
InChIKeyCEBOFFXIUOEGJP-QBJTZWGSSA-N
XLogP12.00
TPSA1157.71 Ų
H-Bond Donors12
H-Bond Acceptors91
Rotatable Bonds112
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004399.02
LogP ≤ 512.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1091

Analyze [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5R)-2-[[[(2R,4S,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxo-4-[[phenyl-(2,3,4-trioctadecoxyphenyl)methyl]amino]butanoate;[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxo-4-[[phenyl-(2,3,4-trioctadecoxyphenyl)methyl]amino]butanoate
CID 159873315
[(2R,3S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2S,3S,5R)-4-(2-methoxyethoxy)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-cyanoethyl phosphate;[(2R,3S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2S,3S,5R)-4-(2-methoxyethoxy)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-cyanoethyl phosphate
CID 167653391
[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-ethyl-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate
CID 167615518
N-[9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-di(propan-2-yl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 135475464
[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-[3-(3,4-dimethyl-5-octadecoxybenzoyl)-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
CID 159017560
(3,4,5-trioctadecoxyphenyl)methyl 4-[[1-[5-[[[2-[[[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoate
CID 162092364
[(2R,3S,5R)-5-(7-benzamido-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] [(2R,3R,4R,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-isocyanoethyl phosphate
CID 155643404
N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 135451897
[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-oxoisoquinolin-2-yl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 162769552
[2-[2-[[[2-[[[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-2-oxoethyl] 3,4,5-trimethylbenzoate;[2-[2-[[[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-2-oxoethyl] 3,4,5-trimethylbenzoate
CID 159512605
N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methyl(phenylsulfanyl)phosphoryl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 136693311
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 136825483

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane?
The IUPAC name of [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane (CID 167549026) is [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane.
What is the SMILES notation for [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane?
The canonical SMILES for [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane is C.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OCCOC)[C@H]1OP(=O)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C(OCCOC)[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C)O[C@@H]1C(OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC[N+]#[C-])O[C@@H]1C(OCCOC)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=S)(OCC[N+]#[C-])O[C@@H]1C(OCCOC)[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1COC(c1ccccc1)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane?
The InChIKey is CEBOFFXIUOEGJP-QBJTZWGSSA-N. The full InChI is InChI=1S/C172H218N35O71P9S6.CH4/c1-96(2)145(208)186-162-184-143-131(155(218)188-162)182-94-206(143)130-75-115(273-285(291,248-58-49-179-22)256-86-117-112(72-127(261-117)199-77-102(9)148(211)191-165(199)221)270-282(288,245-55-46-176-19)254-85-116-100(7)71-126(260-116)198-76-101(8)147(210)190-164(198)220)120(264-130)88-257-284(290,247-57-48-178-21)271-113-73-128(200-78-103(10)149(212)192-166(200)222)262-118(113)87-255-283(289,246-56-47-177-20)272-114-74-129(201-79-104(11)150(213)193-167(201)223)263-119(114)89-258-286(292,249-59-50-180-23)278-137-124(268-160(141(137)239-69-64-234-28)205-83-108(15)154(217)197-171(205)227)92-253-281(230,244-54-45-175-18)275-134-122(266-158(139(134)237-67-62-232-26)203-81-106(13)152(215)195-169(203)225)90-251-279(228,242-52-43-173-16)274-133-123(267-157(138(133)236-66-61-231-25)202-80-105(12)151(214)194-168(202)224)91-252-280(229,243-53-44-174-17)276-135-125(269-159(140(135)238-68-63-233-27)204-82-107(14)153(216)196-170(204)226)93-259-287(293,250-60-51-181-24)277-136-121(84-241-172(109-33-31-30-32-34-109,110-39-35-98(5)36-40-110)111-41-37-99(6)38-42-111)265-161(142(136)240-70-65-235-29)207-95-183-132-144(207)185-163(189-156(132)219)187-146(209)97(3)4;/h30-42,76-83,94-97,100,112-130,133-142,157-161H,43-75,84-93H2,1-15,25-29H3,(H,190,210,220)(H,191,211,221)(H,192,212,222)(H,193,213,223)(H,194,214,224)(H,195,215,225)(H,196,216,226)(H,197,217,227)(H2,184,186,188,208,218)(H2,185,187,189,209,219);1H4/t100-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,133+,134+,135+,136+,137+,138?,139?,140?,141?,142?,157-,158-,159-,160-,161-,279?,280?,281?,282?,283?,284?,285?,286?,287?;/m1./s1.
What are the key properties of [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane?
[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane has a molecular weight of 4399.02 g/mol, XLogP of 12.00, 112 rotatable bonds, 12 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methylphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3S,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2R,3R,5R)-3-[2-isocyanoethoxy-[[(2S,3R,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-isocyanoethyl phosphate;methane is sourced from PubChem (CID 167549026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).