[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane

C181H248N18O111P12 — CID 163885427

IUPAC[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane
SMILESC.CC(C)(C)C(=O)OC1CCOP(=O)(OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)n(Cc4noc5ccccc45)c3=O)[C@@H](O)C2O)O1.CC(C)C(OC(=O)C(C)(C)C)OP(=O)(OC(OC(=O)C(C)(C)C)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OC(OP(=O)(OC(OC(=O)OC(C)C)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O)C(C)C.CC(C)OC(=O)OCOP(=O)(OC(C)OC(=O)OC(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OP(=O)(OCOC(=O)OC(C)C)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O
InChIInChI=1S/C35H51N3O17P2.C33H47N3O19P2.C32H43N3O22P2.C28H37N3O19P2.C27H35N3O19P2.C25H31N3O15P2.CH4/c1-19(2)29(50-31(42)34(5,6)7)53-57(47,54-30(20(3)4)51-32(43)35(8,9)10)55-56(45,46)48-18-24-26(40)27(41)28(49-24)37-16-15-25(39)38(33(37)44)17-22-21-13-11-12-14-23(21)52-36-22;1-17(2)29(50-32(41)47-19(5)6)53-57(45,54-30(18(3)4)51-33(42)48-20(7)8)55-56(43,44)46-16-24-26(38)27(39)28(49-24)35-14-13-25(37)36(31(35)40)15-22-21-11-9-10-12-23(21)52-34-22;1-18(2)52-30(40)45-15-49-58(43,57-59(44,50-16-46-31(41)53-19(3)4)51-17-47-32(42)54-20(5)6)48-14-24-26(37)27(38)28(55-24)34-12-11-25(36)35(29(34)39)13-22-21-9-7-8-10-23(21)56-33-22;1-15(2)44-27(36)41-14-43-52(40,49-17(5)46-28(37)45-16(3)4)50-51(38,39)42-13-21-23(33)24(34)25(47-21)30-11-10-22(32)31(26(30)35)12-19-18-8-6-7-9-20(18)48-29-19;1-15(2)45-26(35)40-13-43-51(39,44-14-41-27(36)46-16(3)4)49-50(37,38)42-12-20-22(32)23(33)24(47-20)29-10-9-21(31)30(25(29)34)11-18-17-7-5-6-8-19(17)48-28-18;1-25(2,3)23(32)40-19-9-11-37-45(36,42-19)43-44(34,35)38-13-17-20(30)21(31)22(39-17)27-10-8-18(29)28(24(27)33)12-15-14-6-4-5-7-16(14)41-26-15;/h11-16,19-20,24,26-30,40-41H,17-18H2,1-10H3,(H,45,46);9-14,17-20,24,26-30,38-39H,15-16H2,1-8H3,(H,43,44);7-12,18-20,24,26-28,37-38H,13-17H2,1-6H3;6-11,15-17,21,23-25,33-34H,12-14H2,1-5H3,(H,38,39);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38);4-8,10,17,19-22,30-31H,9,11-13H2,1-3H3,(H,34,35);1H4/t2*24-,26?,27+,28-,29?,30?,57?;24-,26?,27+,28-,58?;17?,21-,23?,24+,25-,52?;20-,22?,23+,24-;17-,19?,20?,21+,22-,45?;/m111111./s1
InChIKeyPWXMHPMYOQKZJA-KAMYIIHNSA-N
MW4823.68 g/mol
LogP18.79
Rot. Bonds95

About [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane

[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane (PubChem CID 163885427) has the molecular formula C181H248N18O111P12 and a molecular weight of 4823.68 g/mol. Its IUPAC name is [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane.

Molecular Properties

Compound Name[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane
PubChem CID163885427
Molecular FormulaC181H248N18O111P12
Molecular Weight4823.68 g/mol
Exact Mass4821.12
IUPAC Name[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane
SMILESC.CC(C)(C)C(=O)OC1CCOP(=O)(OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)n(Cc4noc5ccccc45)c3=O)[C@@H](O)C2O)O1.CC(C)C(OC(=O)C(C)(C)C)OP(=O)(OC(OC(=O)C(C)(C)C)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OC(OP(=O)(OC(OC(=O)OC(C)C)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O)C(C)C.CC(C)OC(=O)OCOP(=O)(OC(C)OC(=O)OC(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OP(=O)(OCOC(=O)OC(C)C)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O
InChIInChI=1S/C35H51N3O17P2.C33H47N3O19P2.C32H43N3O22P2.C28H37N3O19P2.C27H35N3O19P2.C25H31N3O15P2.CH4/c1-19(2)29(50-31(42)34(5,6)7)53-57(47,54-30(20(3)4)51-32(43)35(8,9)10)55-56(45,46)48-18-24-26(40)27(41)28(49-24)37-16-15-25(39)38(33(37)44)17-22-21-13-11-12-14-23(21)52-36-22;1-17(2)29(50-32(41)47-19(5)6)53-57(45,54-30(18(3)4)51-33(42)48-20(7)8)55-56(43,44)46-16-24-26(38)27(39)28(49-24)35-14-13-25(37)36(31(35)40)15-22-21-11-9-10-12-23(21)52-34-22;1-18(2)52-30(40)45-15-49-58(43,57-59(44,50-16-46-31(41)53-19(3)4)51-17-47-32(42)54-20(5)6)48-14-24-26(37)27(38)28(55-24)34-12-11-25(36)35(29(34)39)13-22-21-9-7-8-10-23(21)56-33-22;1-15(2)44-27(36)41-14-43-52(40,49-17(5)46-28(37)45-16(3)4)50-51(38,39)42-13-21-23(33)24(34)25(47-21)30-11-10-22(32)31(26(30)35)12-19-18-8-6-7-9-20(18)48-29-19;1-15(2)45-26(35)40-13-43-51(39,44-14-41-27(36)46-16(3)4)49-50(37,38)42-12-20-22(32)23(33)24(47-20)29-10-9-21(31)30(25(29)34)11-18-17-7-5-6-8-19(17)48-28-18;1-25(2,3)23(32)40-19-9-11-37-45(36,42-19)43-44(34,35)38-13-17-20(30)21(31)22(39-17)27-10-8-18(29)28(24(27)33)12-15-14-6-4-5-7-16(14)41-26-15;/h11-16,19-20,24,26-30,40-41H,17-18H2,1-10H3,(H,45,46);9-14,17-20,24,26-30,38-39H,15-16H2,1-8H3,(H,43,44);7-12,18-20,24,26-28,37-38H,13-17H2,1-6H3;6-11,15-17,21,23-25,33-34H,12-14H2,1-5H3,(H,38,39);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38);4-8,10,17,19-22,30-31H,9,11-13H2,1-3H3,(H,34,35);1H4/t2*24-,26?,27+,28-,29?,30?,57?;24-,26?,27+,28-,58?;17?,21-,23?,24+,25-,52?;20-,22?,23+,24-;17-,19?,20?,21+,22-,45?;/m111111./s1
InChIKeyPWXMHPMYOQKZJA-KAMYIIHNSA-N
XLogP18.79
TPSA1653.73 Ų
H-Bond Donors17
H-Bond Acceptors124
Rotatable Bonds95
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004823.68
LogP ≤ 518.79
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 10124

Analyze [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane with MolForge

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Related Compounds

[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;[4-[[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate;1-[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)ethoxy]phosphoryl]oxyethyl 2,2-dimethylpropanoate;[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate;[1-[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate;[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 160591735
[1-[[[(2S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,3-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate
CID 174074913
[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 140855136
[(2R,3S,4R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 71515482
[4-[[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[4-(3,3-dimethyl-2-oxobutyl)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] 2,2-dimethylpropanoate;[4-[[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[4-(2-oxopropyl)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] acetate;[4-[[[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[4-(2-oxopropyl)phenyl]methoxy]phosphoryl]oxymethyl]phenyl] 2-methylpropanoate
CID 160565848
[4-[[[[(2R,3R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(4-benzoyloxyphenyl)methoxy]phosphoryl]oxymethyl]phenyl] benzoate
CID 156867556
[[[(2S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,3-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
CID 174074908
[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methyl-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 123826558
sodium [[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(6-methyl-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CID 153437534
[(2R,5R)-3,4-dihydroxy-5-[3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 123661349
trisodium;[[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(6-methyl-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;hydride
CID 158337228
[[(2R,3R,5R)-5-[3-[(7-fluoro-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxy-oxophosphanium
CID 122660007

Frequently Asked Questions

What is the IUPAC name of [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane?
The IUPAC name of [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane (CID 163885427) is [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane.
What is the SMILES notation for [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane?
The canonical SMILES for [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane is C.CC(C)(C)C(=O)OC1CCOP(=O)(OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)n(Cc4noc5ccccc45)c3=O)[C@@H](O)C2O)O1.CC(C)C(OC(=O)C(C)(C)C)OP(=O)(OC(OC(=O)C(C)(C)C)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OC(OP(=O)(OC(OC(=O)OC(C)C)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O)C(C)C.CC(C)OC(=O)OCOP(=O)(OC(C)OC(=O)OC(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OP(=O)(OCOC(=O)OC(C)C)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)[C@@H](O)C1O.
What is the InChIKey of [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane?
The InChIKey is PWXMHPMYOQKZJA-KAMYIIHNSA-N. The full InChI is InChI=1S/C35H51N3O17P2.C33H47N3O19P2.C32H43N3O22P2.C28H37N3O19P2.C27H35N3O19P2.C25H31N3O15P2.CH4/c1-19(2)29(50-31(42)34(5,6)7)53-57(47,54-30(20(3)4)51-32(43)35(8,9)10)55-56(45,46)48-18-24-26(40)27(41)28(49-24)37-16-15-25(39)38(33(37)44)17-22-21-13-11-12-14-23(21)52-36-22;1-17(2)29(50-32(41)47-19(5)6)53-57(45,54-30(18(3)4)51-33(42)48-20(7)8)55-56(43,44)46-16-24-26(38)27(39)28(49-24)35-14-13-25(37)36(31(35)40)15-22-21-11-9-10-12-23(21)52-34-22;1-18(2)52-30(40)45-15-49-58(43,57-59(44,50-16-46-31(41)53-19(3)4)51-17-47-32(42)54-20(5)6)48-14-24-26(37)27(38)28(55-24)34-12-11-25(36)35(29(34)39)13-22-21-9-7-8-10-23(21)56-33-22;1-15(2)44-27(36)41-14-43-52(40,49-17(5)46-28(37)45-16(3)4)50-51(38,39)42-13-21-23(33)24(34)25(47-21)30-11-10-22(32)31(26(30)35)12-19-18-8-6-7-9-20(18)48-29-19;1-15(2)45-26(35)40-13-43-51(39,44-14-41-27(36)46-16(3)4)49-50(37,38)42-12-20-22(32)23(33)24(47-20)29-10-9-21(31)30(25(29)34)11-18-17-7-5-6-8-19(17)48-28-18;1-25(2,3)23(32)40-19-9-11-37-45(36,42-19)43-44(34,35)38-13-17-20(30)21(31)22(39-17)27-10-8-18(29)28(24(27)33)12-15-14-6-4-5-7-16(14)41-26-15;/h11-16,19-20,24,26-30,40-41H,17-18H2,1-10H3,(H,45,46);9-14,17-20,24,26-30,38-39H,15-16H2,1-8H3,(H,43,44);7-12,18-20,24,26-28,37-38H,13-17H2,1-6H3;6-11,15-17,21,23-25,33-34H,12-14H2,1-5H3,(H,38,39);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38);4-8,10,17,19-22,30-31H,9,11-13H2,1-3H3,(H,34,35);1H4/t2*24-,26?,27+,28-,29?,30?,57?;24-,26?,27+,28-,58?;17?,21-,23?,24+,25-,52?;20-,22?,23+,24-;17-,19?,20?,21+,22-,45?;/m111111./s1.
What are the key properties of [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane?
[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane has a molecular weight of 4823.68 g/mol, XLogP of 18.79, 95 rotatable bonds, 17 hydrogen bond donors, and 124 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxy]phosphoryl]oxymethyl propan-2-yl carbonate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]phosphoryl]oxy-2-methylpropyl] 2,2-dimethylpropanoate;[1-[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(2-methyl-1-propan-2-yloxycarbonyloxypropoxy)phosphoryl]oxy-2-methylpropyl] propan-2-yl carbonate;[2-[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-oxo-1,3,2λ5-dioxaphosphinan-4-yl] 2,2-dimethylpropanoate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;methane is sourced from PubChem (CID 163885427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).