[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen

C161H246N27O49P5Si6 — CID 158658231

IUPAC[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen
SMILES[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)C1OP(=O)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2ccc(=O)n(C(=O)c3cc(C)c(C)c(OC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)c3)c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1OC(=O)CCC(C)=O)OC1[C@@H](COP(=O)(OCC[N+]#[C-])OC2[C@@H](COP(=O)(OCC[N+]#[C-])OC3[C@@H](COP(=O)(OCC[N+]#[C-])OC4[C@@H](CO)O[C@@H](n5cnc6c(=O)[nH]c(NC(=O)C(C)C)nc65)[C@H]4O[Si](C)(C)C(C)(C)C)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H]3O[Si](C)(C)C(C)(C)C)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@H]1O[Si](C)(C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C161H202N27O49P5Si6.22H2/c1-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-67-83-209-109-90-108(89-103(6)105(109)8)144(200)188-118(193)74-82-184(155(188)203)147-129(232-243(33,34)156(10,11)12)123(226-119(194)71-70-104(7)190)111(221-147)92-215-239(205,211-85-76-163-29)231-128-115(225-150(134(128)237-248(43,44)161(25,26)27)187-100-171-122-138(187)177-152(181-143(122)199)179-140(196)102(4)5)96-219-241(207,213-87-78-165-31)228-125-112(222-145(131(125)234-245(37,38)158(16,17)18)182-80-72-116(172-106(9)191)173-153(182)201)94-217-242(208,214-88-79-166-32)230-127-114(224-148(133(127)236-247(41,42)160(22,23)24)185-98-169-120-135(167-97-168-136(120)185)175-141(197)107-68-65-64-66-69-107)95-218-240(206,212-86-77-164-30)229-126-113(223-146(183-81-73-117(192)174-154(183)202)132(126)235-246(39,40)159(19,20)21)93-216-238(204,210-84-75-162-28)227-124-110(91-189)220-149(130(124)233-244(35,36)157(13,14)15)186-99-170-121-137(186)176-151(180-142(121)198)178-139(195)101(2)3;;;;;;;;;;;;;;;;;;;;;;/h1,64-66,68-69,72-74,80-82,89-90,97-102,110-115,123-134,145-150,189H,70-71,75-79,84-88,91-96H2,2-27,33-44H3,(H,174,192,202)(H,167,168,175,197)(H,172,173,191,201)(H2,176,178,180,195,198)(H2,177,179,181,196,199);22*1H/t110-,111-,112-,113-,114-,115-,123?,124?,125?,126?,127?,128?,129+,130+,131+,132+,133+,134+,145-,146-,147-,148-,149-,150-,238?,239?,240?,241?,242?;;;;;;;;;;;;;;;;;;;;;;/m1....................../s1
InChIKeyICKPLIFHIWNORX-FXTHTTKOSA-N
MW3667.26 g/mol
LogP25.27
Rot. Bonds72

About [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen

[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen (PubChem CID 158658231) has the molecular formula C161H246N27O49P5Si6 and a molecular weight of 3667.26 g/mol. Its IUPAC name is [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen.

Molecular Properties

Compound Name[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen
PubChem CID158658231
Molecular FormulaC161H246N27O49P5Si6
Molecular Weight3667.26 g/mol
Exact Mass3664.49
IUPAC Name[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen
SMILES[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)C1OP(=O)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2ccc(=O)n(C(=O)c3cc(C)c(C)c(OC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)c3)c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1OC(=O)CCC(C)=O)OC1[C@@H](COP(=O)(OCC[N+]#[C-])OC2[C@@H](COP(=O)(OCC[N+]#[C-])OC3[C@@H](COP(=O)(OCC[N+]#[C-])OC4[C@@H](CO)O[C@@H](n5cnc6c(=O)[nH]c(NC(=O)C(C)C)nc65)[C@H]4O[Si](C)(C)C(C)(C)C)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H]3O[Si](C)(C)C(C)(C)C)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@H]1O[Si](C)(C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C161H202N27O49P5Si6.22H2/c1-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-67-83-209-109-90-108(89-103(6)105(109)8)144(200)188-118(193)74-82-184(155(188)203)147-129(232-243(33,34)156(10,11)12)123(226-119(194)71-70-104(7)190)111(221-147)92-215-239(205,211-85-76-163-29)231-128-115(225-150(134(128)237-248(43,44)161(25,26)27)187-100-171-122-138(187)177-152(181-143(122)199)179-140(196)102(4)5)96-219-241(207,213-87-78-165-31)228-125-112(222-145(131(125)234-245(37,38)158(16,17)18)182-80-72-116(172-106(9)191)173-153(182)201)94-217-242(208,214-88-79-166-32)230-127-114(224-148(133(127)236-247(41,42)160(22,23)24)185-98-169-120-135(167-97-168-136(120)185)175-141(197)107-68-65-64-66-69-107)95-218-240(206,212-86-77-164-30)229-126-113(223-146(183-81-73-117(192)174-154(183)202)132(126)235-246(39,40)159(19,20)21)93-216-238(204,210-84-75-162-28)227-124-110(91-189)220-149(130(124)233-244(35,36)157(13,14)15)186-99-170-121-137(186)176-151(180-142(121)198)178-139(195)101(2)3;;;;;;;;;;;;;;;;;;;;;;/h1,64-66,68-69,72-74,80-82,89-90,97-102,110-115,123-134,145-150,189H,70-71,75-79,84-88,91-96H2,2-27,33-44H3,(H,174,192,202)(H,167,168,175,197)(H,172,173,191,201)(H2,176,178,180,195,198)(H2,177,179,181,196,199);22*1H/t110-,111-,112-,113-,114-,115-,123?,124?,125?,126?,127?,128?,129+,130+,131+,132+,133+,134+,145-,146-,147-,148-,149-,150-,238?,239?,240?,241?,242?;;;;;;;;;;;;;;;;;;;;;;/m1....................../s1
InChIKeyICKPLIFHIWNORX-FXTHTTKOSA-N
XLogP25.27
TPSA867.15 Ų
H-Bond Donors8
H-Bond Acceptors64
Rotatable Bonds72
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003667.26
LogP ≤ 525.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1064

Analyze [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen with MolForge

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Related Compounds

[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen
CID 161280909
[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
CID 159523489
[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
CID 160825332
[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] hydrogen carbonate
CID 157217520
[(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
[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxo-4-[4-(3,4,5-trimethylbenzoyl)piperazin-1-yl]butanoate
CID 167556506
[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[2-cyanoethoxy-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-fluorooxolan-3-yl] 4-oxopentanoate
CID 139415915
CID 159155424
CID 159155424
[2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[[[4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-2-oxoethyl] 3,4,5-trimethylbenzoate
CID 159181116
[(2R,3R,4R,5R)-2-(2-benzamido-6-oxo-1H-purin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 135494431
[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-yl] [(1S,2R,3S,4R,5S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[tert-butyl(dimethyl)silyl]oxy-4-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl 2-isocyanoethyl phosphate
CID 174139943
[(3R,4R)-5-(6-benzamidopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(3R,4R)-3-[2-cyanoethoxy(hydroxy)phosphoryl]oxy-4-fluoro-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 3-cyanopropyl phosphate
CID 154622092

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen?
The IUPAC name of [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen (CID 158658231) is [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen.
What is the SMILES notation for [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen?
The canonical SMILES for [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen is [C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)C1OP(=O)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2ccc(=O)n(C(=O)c3cc(C)c(C)c(OC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)c3)c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1OC(=O)CCC(C)=O)OC1[C@@H](COP(=O)(OCC[N+]#[C-])OC2[C@@H](COP(=O)(OCC[N+]#[C-])OC3[C@@H](COP(=O)(OCC[N+]#[C-])OC4[C@@H](CO)O[C@@H](n5cnc6c(=O)[nH]c(NC(=O)C(C)C)nc65)[C@H]4O[Si](C)(C)C(C)(C)C)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H]3O[Si](C)(C)C(C)(C)C)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@H]1O[Si](C)(C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen?
The InChIKey is ICKPLIFHIWNORX-FXTHTTKOSA-N. The full InChI is InChI=1S/C161H202N27O49P5Si6.22H2/c1-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-67-83-209-109-90-108(89-103(6)105(109)8)144(200)188-118(193)74-82-184(155(188)203)147-129(232-243(33,34)156(10,11)12)123(226-119(194)71-70-104(7)190)111(221-147)92-215-239(205,211-85-76-163-29)231-128-115(225-150(134(128)237-248(43,44)161(25,26)27)187-100-171-122-138(187)177-152(181-143(122)199)179-140(196)102(4)5)96-219-241(207,213-87-78-165-31)228-125-112(222-145(131(125)234-245(37,38)158(16,17)18)182-80-72-116(172-106(9)191)173-153(182)201)94-217-242(208,214-88-79-166-32)230-127-114(224-148(133(127)236-247(41,42)160(22,23)24)185-98-169-120-135(167-97-168-136(120)185)175-141(197)107-68-65-64-66-69-107)95-218-240(206,212-86-77-164-30)229-126-113(223-146(183-81-73-117(192)174-154(183)202)132(126)235-246(39,40)159(19,20)21)93-216-238(204,210-84-75-162-28)227-124-110(91-189)220-149(130(124)233-244(35,36)157(13,14)15)186-99-170-121-137(186)176-151(180-142(121)198)178-139(195)101(2)3;;;;;;;;;;;;;;;;;;;;;;/h1,64-66,68-69,72-74,80-82,89-90,97-102,110-115,123-134,145-150,189H,70-71,75-79,84-88,91-96H2,2-27,33-44H3,(H,174,192,202)(H,167,168,175,197)(H,172,173,191,201)(H2,176,178,180,195,198)(H2,177,179,181,196,199);22*1H/t110-,111-,112-,113-,114-,115-,123?,124?,125?,126?,127?,128?,129+,130+,131+,132+,133+,134+,145-,146-,147-,148-,149-,150-,238?,239?,240?,241?,242?;;;;;;;;;;;;;;;;;;;;;;/m1....................../s1.
What are the key properties of [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen?
[(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen has a molecular weight of 3667.26 g/mol, XLogP of 25.27, 72 rotatable bonds, 8 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[3-(3-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy-4,5-dimethylbenzoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate;molecular hydrogen is sourced from PubChem (CID 158658231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).