2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate

C138H199N26O55P7Si — CID 165085773

IUPAC2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate
SMILES[C-]#[N+]CCOP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O.[C-]#[N+]CCOP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCC[N+]#[C-])OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.[C-]#[N+]CCOP(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)N(C(C)C)C(C)C
InChIInChI=1S/C50H73N10O19P3.C47H70N8O18P2Si.C41H56N8O18P2/c1-16-34-35(23-38(72-34)57-26-31(6)43(61)54-46(57)64)76-81(67,70-21-18-52-14)79-50(11,12)42-37(25-40(74-42)59-28-33(8)45(63)56-48(59)66)77-82(68,71-22-19-53-15)78-49(9,10)41-36(24-39(73-41)58-27-32(7)44(62)55-47(58)65)75-80(69-20-17-51-13)60(29(2)3)30(4)5;1-16-30-31(21-34(66-30)53-24-27(2)39(56)50-42(53)59)69-74(62,64-19-17-48-12)72-46(8,9)37-32(22-35(67-37)54-25-28(3)40(57)51-43(54)60)70-75(63,65-20-18-49-13)73-47(10,11)38-33(71-76(14,15)45(5,6)7)23-36(68-38)55-26-29(4)41(58)52-44(55)61;1-11-26-27(17-30(61-26)48-20-23(3)35(52)45-38(48)55)64-68(57,59-14-12-42-9)67-41(7,8)33-28(18-31(63-33)49-21-24(4)36(53)46-39(49)56)65-69(58,60-15-13-43-10)66-40(5,6)32-25(50)16-29(62-32)47-19-22(2)34(51)44-37(47)54/h26-30,34-42H,16-25H2,1-12H3,(H,54,61,64)(H,55,62,65)(H,56,63,66);24-26,30-38H,16-23H2,1-11,14-15H3,(H,50,56,59)(H,51,57,60)(H,52,58,61);19-21,25-33,50H,11-18H2,1-8H3,(H,44,51,54)(H,45,52,55)(H,46,53,56)/t34-,35-,36-,37-,38-,39-,40-,41+,42+,80?,81?,82?;30-,31-,32-,33-,34-,35-,36-,37+,38+,74?,75?;25-,26-,27-,28-,29-,30-,31-,32+,33+,68?,69?/m111/s1
InChIKeyVWNQXSPSTUWQTJ-VRECEQPTSA-N
MW3347.14 g/mol
LogP14.27
Rot. Bonds70

About 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate

2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate (PubChem CID 165085773) has the molecular formula C138H199N26O55P7Si and a molecular weight of 3347.14 g/mol. Its IUPAC name is 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate.

Molecular Properties

Compound Name2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate
PubChem CID165085773
Molecular FormulaC138H199N26O55P7Si
Molecular Weight3347.14 g/mol
Exact Mass3345.15
IUPAC Name2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate
SMILES[C-]#[N+]CCOP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O.[C-]#[N+]CCOP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCC[N+]#[C-])OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.[C-]#[N+]CCOP(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)N(C(C)C)C(C)C
InChIInChI=1S/C50H73N10O19P3.C47H70N8O18P2Si.C41H56N8O18P2/c1-16-34-35(23-38(72-34)57-26-31(6)43(61)54-46(57)64)76-81(67,70-21-18-52-14)79-50(11,12)42-37(25-40(74-42)59-28-33(8)45(63)56-48(59)66)77-82(68,71-22-19-53-15)78-49(9,10)41-36(24-39(73-41)58-27-32(7)44(62)55-47(58)65)75-80(69-20-17-51-13)60(29(2)3)30(4)5;1-16-30-31(21-34(66-30)53-24-27(2)39(56)50-42(53)59)69-74(62,64-19-17-48-12)72-46(8,9)37-32(22-35(67-37)54-25-28(3)40(57)51-43(54)60)70-75(63,65-20-18-49-13)73-47(10,11)38-33(71-76(14,15)45(5,6)7)23-36(68-38)55-26-29(4)41(58)52-44(55)61;1-11-26-27(17-30(61-26)48-20-23(3)35(52)45-38(48)55)64-68(57,59-14-12-42-9)67-41(7,8)33-28(18-31(63-33)49-21-24(4)36(53)46-39(49)56)65-69(58,60-15-13-43-10)66-40(5,6)32-25(50)16-29(62-32)47-19-22(2)34(51)44-37(47)54/h26-30,34-42H,16-25H2,1-12H3,(H,54,61,64)(H,55,62,65)(H,56,63,66);24-26,30-38H,16-23H2,1-11,14-15H3,(H,50,56,59)(H,51,57,60)(H,52,58,61);19-21,25-33,50H,11-18H2,1-8H3,(H,44,51,54)(H,45,52,55)(H,46,53,56)/t34-,35-,36-,37-,38-,39-,40-,41+,42+,80?,81?,82?;30-,31-,32-,33-,34-,35-,36-,37+,38+,74?,75?;25-,26-,27-,28-,29-,30-,31-,32+,33+,68?,69?/m111/s1
InChIKeyVWNQXSPSTUWQTJ-VRECEQPTSA-N
XLogP14.27
TPSA927.05 Ų
H-Bond Donors10
H-Bond Acceptors65
Rotatable Bonds70
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003347.14
LogP ≤ 514.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1065

Analyze 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate with MolForge

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Related Compounds

1-[(2R,4S,5R)-5-[bis[di(propan-2-yl)amino]phosphanyloxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101468293
1-[(2R,5R)-4-(dihexadecoxymethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140867476
S-[2-[2-[[di(propan-2-yl)amino]-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxyethoxy]ethyl] propanethioate
CID 91397501
3-[[(2S,3R,5R)-2-(bromomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 121290959
1-[(2R,3R,4R,5R)-5-[(2S)-1-dimethylphosphorylpropan-2-yl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 58498247
1-[(1R,3R,4R,7R)-1-[(1S)-1-deuterioethyl]-7-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-oxo-2-oxa-5λ4-thiabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
CID 140638407
1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(3-hydroxypropoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;tritiooxymethane
CID 161184904
3-[[di(propan-2-yl)amino]-[(2S,3R,5S)-2-ethyl-5-(5-isocyano-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxypropanenitrile;3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile;1-[(2S,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-isocyanopyrimidine-2,4-dione
CID 158211513
3-[[(2R,3S,5R)-2-(3-diethoxyphosphorylpropyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 178052169
3-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoic acid
CID 57251904
1-[(2R,3R,4S,5S)-5-[(1S)-1-dimethylphosphorylethyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 158698712
1-[(2R,3R,4R,5S)-5-[(Z)-2-dimethylphosphoryl-1-methoxyethenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159138976

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate?
The IUPAC name of 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate (CID 165085773) is 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate.
What is the SMILES notation for 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate?
The canonical SMILES for 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate is [C-]#[N+]CCOP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O.[C-]#[N+]CCOP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OCC[N+]#[C-])OC(C)(C)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.[C-]#[N+]CCOP(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1C(C)(C)OP(=O)(OCC[N+]#[C-])O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CC)N(C(C)C)C(C)C.
What is the InChIKey of 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate?
The InChIKey is VWNQXSPSTUWQTJ-VRECEQPTSA-N. The full InChI is InChI=1S/C50H73N10O19P3.C47H70N8O18P2Si.C41H56N8O18P2/c1-16-34-35(23-38(72-34)57-26-31(6)43(61)54-46(57)64)76-81(67,70-21-18-52-14)79-50(11,12)42-37(25-40(74-42)59-28-33(8)45(63)56-48(59)66)77-82(68,71-22-19-53-15)78-49(9,10)41-36(24-39(73-41)58-27-32(7)44(62)55-47(58)65)75-80(69-20-17-51-13)60(29(2)3)30(4)5;1-16-30-31(21-34(66-30)53-24-27(2)39(56)50-42(53)59)69-74(62,64-19-17-48-12)72-46(8,9)37-32(22-35(67-37)54-25-28(3)40(57)51-43(54)60)70-75(63,65-20-18-49-13)73-47(10,11)38-33(71-76(14,15)45(5,6)7)23-36(68-38)55-26-29(4)41(58)52-44(55)61;1-11-26-27(17-30(61-26)48-20-23(3)35(52)45-38(48)55)64-68(57,59-14-12-42-9)67-41(7,8)33-28(18-31(63-33)49-21-24(4)36(53)46-39(49)56)65-69(58,60-15-13-43-10)66-40(5,6)32-25(50)16-29(62-32)47-19-22(2)34(51)44-37(47)54/h26-30,34-42H,16-25H2,1-12H3,(H,54,61,64)(H,55,62,65)(H,56,63,66);24-26,30-38H,16-23H2,1-11,14-15H3,(H,50,56,59)(H,51,57,60)(H,52,58,61);19-21,25-33,50H,11-18H2,1-8H3,(H,44,51,54)(H,45,52,55)(H,46,53,56)/t34-,35-,36-,37-,38-,39-,40-,41+,42+,80?,81?,82?;30-,31-,32-,33-,34-,35-,36-,37+,38+,74?,75?;25-,26-,27-,28-,29-,30-,31-,32+,33+,68?,69?/m111/s1.
What are the key properties of 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate?
2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate has a molecular weight of 3347.14 g/mol, XLogP of 14.27, 70 rotatable bonds, 10 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;2-[(2S,3R,5R)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl [(2S,3R,5R)-2-[2-[[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxypropan-2-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[(2S,3R,5R)-3-[2-[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yloxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propan-2-yl 2-isocyanoethyl phosphate is sourced from PubChem (CID 165085773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).