2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane

C211H268N33O55P2Si4+ — CID 160660562

IUPAC2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane
SMILESC.CC(C)N(C(C)C)P(OCCC#N)OC1[C@@H](COCC[N+](C)(C)CCN2C(=O)c3ccccc3C2=O)O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H]1O[Si](C)(C)C(C)(C)C.CN(CCOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O)C1O[Si](C)(C)C(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.[C-]#[N+]CCOP(O[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](COCCN(C)C(=O)CN2C(=O)c3ccccc3C2=O)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O)N(C(C)C)C(C)C
InChIInChI=1S/C45H64N7O9PSi.C44H60N7O10PSi.2C35H43N5O9Si.C29H29N5O9.C22H24N4O9.CH4/c1-31(2)51(32(3)4)62(58-28-17-23-46)60-38-36(30-57-29-27-52(8,9)26-25-49-41(54)34-20-15-16-21-35(34)42(49)55)59-43(39(38)61-63(10,11)45(5,6)7)50-24-22-37(48-44(50)56)47-40(53)33-18-13-12-14-19-33;1-29(2)51(30(3)4)62(58-25-22-45-8)60-38-37(61-63(10,11)44(5,6)7)34(59-42(38)49-23-21-35(47-43(49)56)46-39(53)31-17-13-12-14-18-31)28-57-26-24-48(9)36(52)27-50-40(54)32-19-15-16-20-33(32)41(50)55;1-35(2,3)50(5,6)49-29-25(21-47-19-18-38(4)27(41)20-40-31(44)23-14-10-11-15-24(23)32(40)45)48-33(28(29)42)39-17-16-26(37-34(39)46)36-30(43)22-12-8-7-9-13-22;1-35(2,3)50(5,6)49-29-28(42)25(48-33(29)39-17-16-26(37-34(39)46)36-30(43)22-12-8-7-9-13-22)21-47-19-18-38(4)27(41)20-40-31(44)23-14-10-11-15-24(23)32(40)45;1-32(22(35)15-34-26(39)18-9-5-6-10-19(18)27(34)40)13-14-42-16-20-23(36)24(37)28(43-20)33-12-11-21(31-29(33)41)30-25(38)17-7-3-2-4-8-17;1-24(16(28)10-26-19(31)12-4-2-3-5-13(12)20(26)32)8-9-34-11-14-17(29)18(30)21(35-14)25-7-6-15(27)23-22(25)33;/h12-16,18-22,24,31-32,36,38-39,43H,17,25-30H2,1-11H3;12-21,23,29-30,34,37-38,42H,22,24-28H2,1-7,9-11H3,(H,46,47,53,56);2*7-17,25,28-29,33,42H,18-21H2,1-6H3,(H,36,37,43,46);2-12,20,23-24,28,36-37H,13-16H2,1H3,(H,30,31,38,41);2-7,14,17-18,21,29-30H,8-11H2,1H3,(H,23,27,33);1H4/p+1/t36-,38?,39+,43-,62?;34-,37?,38+,42-,62?;25-,28+,29?,33-;25-,28?,29+,33-;20-,23?,24+,28-;14-,17?,18+,21-;/m111111./s1
InChIKeyZIOSXZZZBJVLCD-YZHXNGEBSA-O
MW4320.93 g/mol
LogP17.34
Rot. Bonds83

About 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane

2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane (PubChem CID 160660562) has the molecular formula C211H268N33O55P2Si4+ and a molecular weight of 4320.93 g/mol. Its IUPAC name is 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane.

Molecular Properties

Compound Name2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane
PubChem CID160660562
Molecular FormulaC211H268N33O55P2Si4+
Molecular Weight4320.93 g/mol
Exact Mass4317.77
IUPAC Name2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane
SMILESC.CC(C)N(C(C)C)P(OCCC#N)OC1[C@@H](COCC[N+](C)(C)CCN2C(=O)c3ccccc3C2=O)O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H]1O[Si](C)(C)C(C)(C)C.CN(CCOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O)C1O[Si](C)(C)C(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.[C-]#[N+]CCOP(O[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](COCCN(C)C(=O)CN2C(=O)c3ccccc3C2=O)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O)N(C(C)C)C(C)C
InChIInChI=1S/C45H64N7O9PSi.C44H60N7O10PSi.2C35H43N5O9Si.C29H29N5O9.C22H24N4O9.CH4/c1-31(2)51(32(3)4)62(58-28-17-23-46)60-38-36(30-57-29-27-52(8,9)26-25-49-41(54)34-20-15-16-21-35(34)42(49)55)59-43(39(38)61-63(10,11)45(5,6)7)50-24-22-37(48-44(50)56)47-40(53)33-18-13-12-14-19-33;1-29(2)51(30(3)4)62(58-25-22-45-8)60-38-37(61-63(10,11)44(5,6)7)34(59-42(38)49-23-21-35(47-43(49)56)46-39(53)31-17-13-12-14-18-31)28-57-26-24-48(9)36(52)27-50-40(54)32-19-15-16-20-33(32)41(50)55;1-35(2,3)50(5,6)49-29-25(21-47-19-18-38(4)27(41)20-40-31(44)23-14-10-11-15-24(23)32(40)45)48-33(28(29)42)39-17-16-26(37-34(39)46)36-30(43)22-12-8-7-9-13-22;1-35(2,3)50(5,6)49-29-28(42)25(48-33(29)39-17-16-26(37-34(39)46)36-30(43)22-12-8-7-9-13-22)21-47-19-18-38(4)27(41)20-40-31(44)23-14-10-11-15-24(23)32(40)45;1-32(22(35)15-34-26(39)18-9-5-6-10-19(18)27(34)40)13-14-42-16-20-23(36)24(37)28(43-20)33-12-11-21(31-29(33)41)30-25(38)17-7-3-2-4-8-17;1-24(16(28)10-26-19(31)12-4-2-3-5-13(12)20(26)32)8-9-34-11-14-17(29)18(30)21(35-14)25-7-6-15(27)23-22(25)33;/h12-16,18-22,24,31-32,36,38-39,43H,17,25-30H2,1-11H3;12-21,23,29-30,34,37-38,42H,22,24-28H2,1-7,9-11H3,(H,46,47,53,56);2*7-17,25,28-29,33,42H,18-21H2,1-6H3,(H,36,37,43,46);2-12,20,23-24,28,36-37H,13-16H2,1H3,(H,30,31,38,41);2-7,14,17-18,21,29-30H,8-11H2,1H3,(H,23,27,33);1H4/p+1/t36-,38?,39+,43-,62?;34-,37?,38+,42-,62?;25-,28+,29?,33-;25-,28?,29+,33-;20-,23?,24+,28-;14-,17?,18+,21-;/m111111./s1
InChIKeyZIOSXZZZBJVLCD-YZHXNGEBSA-O
XLogP17.34
TPSA1041.25 Ų
H-Bond Donors12
H-Bond Acceptors69
Rotatable Bonds83
Heavy Atoms305
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004320.93
LogP ≤ 517.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1069

Analyze 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane?
The IUPAC name of 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane (CID 160660562) is 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane.
What is the SMILES notation for 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane?
The canonical SMILES for 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane is C.CC(C)N(C(C)C)P(OCCC#N)OC1[C@@H](COCC[N+](C)(C)CCN2C(=O)c3ccccc3C2=O)O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H]1O[Si](C)(C)C(C)(C)C.CN(CCOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O)C1O[Si](C)(C)C(C)(C)C)C(=O)CN1C(=O)c2ccccc2C1=O.CN(CCOC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1O)C(=O)CN1C(=O)c2ccccc2C1=O.[C-]#[N+]CCOP(O[C@H]1C(O[Si](C)(C)C(C)(C)C)[C@@H](COCCN(C)C(=O)CN2C(=O)c3ccccc3C2=O)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane?
The InChIKey is ZIOSXZZZBJVLCD-YZHXNGEBSA-O. The full InChI is InChI=1S/C45H64N7O9PSi.C44H60N7O10PSi.2C35H43N5O9Si.C29H29N5O9.C22H24N4O9.CH4/c1-31(2)51(32(3)4)62(58-28-17-23-46)60-38-36(30-57-29-27-52(8,9)26-25-49-41(54)34-20-15-16-21-35(34)42(49)55)59-43(39(38)61-63(10,11)45(5,6)7)50-24-22-37(48-44(50)56)47-40(53)33-18-13-12-14-19-33;1-29(2)51(30(3)4)62(58-25-22-45-8)60-38-37(61-63(10,11)44(5,6)7)34(59-42(38)49-23-21-35(47-43(49)56)46-39(53)31-17-13-12-14-18-31)28-57-26-24-48(9)36(52)27-50-40(54)32-19-15-16-20-33(32)41(50)55;1-35(2,3)50(5,6)49-29-25(21-47-19-18-38(4)27(41)20-40-31(44)23-14-10-11-15-24(23)32(40)45)48-33(28(29)42)39-17-16-26(37-34(39)46)36-30(43)22-12-8-7-9-13-22;1-35(2,3)50(5,6)49-29-28(42)25(48-33(29)39-17-16-26(37-34(39)46)36-30(43)22-12-8-7-9-13-22)21-47-19-18-38(4)27(41)20-40-31(44)23-14-10-11-15-24(23)32(40)45;1-32(22(35)15-34-26(39)18-9-5-6-10-19(18)27(34)40)13-14-42-16-20-23(36)24(37)28(43-20)33-12-11-21(31-29(33)41)30-25(38)17-7-3-2-4-8-17;1-24(16(28)10-26-19(31)12-4-2-3-5-13(12)20(26)32)8-9-34-11-14-17(29)18(30)21(35-14)25-7-6-15(27)23-22(25)33;/h12-16,18-22,24,31-32,36,38-39,43H,17,25-30H2,1-11H3;12-21,23,29-30,34,37-38,42H,22,24-28H2,1-7,9-11H3,(H,46,47,53,56);2*7-17,25,28-29,33,42H,18-21H2,1-6H3,(H,36,37,43,46);2-12,20,23-24,28,36-37H,13-16H2,1H3,(H,30,31,38,41);2-7,14,17-18,21,29-30H,8-11H2,1H3,(H,23,27,33);1H4/p+1/t36-,38?,39+,43-,62?;34-,37?,38+,42-,62?;25-,28+,29?,33-;25-,28?,29+,33-;20-,23?,24+,28-;14-,17?,18+,21-;/m111111./s1.
What are the key properties of 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane?
2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane has a molecular weight of 4320.93 g/mol, XLogP of 17.34, 83 rotatable bonds, 12 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methoxy]ethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3S,5R)-5-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-methylamino]ethoxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;2-(1,3-dioxoisoindol-2-yl)-N-[2-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]ethyl]-N-methylacetamide;methane is sourced from PubChem (CID 160660562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).