[[(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

C229H291N21O123P14 — CID 160591735

IUPAC[[(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
SMILESCC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.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(O)[C@H]1O.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(O)[C@H]1O.CC(OC(=O)C(C)(C)C)OP(=O)(OC(C)OC(=O)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.O=C(Oc1ccc(COP(=O)(OCc2ccc(OC(=O)c3ccccc3)cc2)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)n(Cc4noc5ccccc45)c3=O)C(O)[C@H]2O)cc1)c1ccccc1
InChIInChI=1S/C45H39N3O17P2.C35H49N3O19P2.C35H51N3O17P2.C31H43N3O17P2.C29H39N3O17P2.C27H35N3O19P2.C27H35N3O17P2/c49-39-23-24-47(45(54)48(39)25-36-35-13-7-8-14-37(35)64-46-36)42-41(51)40(50)38(63-42)28-58-66(55,56)65-67(57,59-26-29-15-19-33(20-16-29)61-43(52)31-9-3-1-4-10-31)60-27-30-17-21-34(22-18-30)62-44(53)32-11-5-2-6-12-32;1-33(2,3)29(42)48-18-52-58(46,57-59(47,53-19-49-30(43)34(4,5)6)54-20-50-31(44)35(7,8)9)51-17-24-26(40)27(41)28(55-24)37-15-14-25(39)38(32(37)45)16-22-21-12-10-11-13-23(21)56-36-22;1-19(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(45-27(38)30(3,4)5)49-53(43,50-18(2)46-28(39)31(6,7)8)51-52(41,42)44-16-22-24(36)25(37)26(47-22)33-14-13-23(35)34(29(33)40)15-20-19-11-9-10-12-21(19)48-32-20;1-28(2,3)25(36)42-15-45-51(41,46-16-43-26(37)29(4,5)6)49-50(39,40)44-14-20-22(34)23(35)24(47-20)31-12-11-21(33)32(27(31)38)13-18-17-9-7-8-10-19(17)48-30-18;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;1-15(2)25(34)40-13-43-49(39,44-14-41-26(35)16(3)4)47-48(37,38)42-12-20-22(32)23(33)24(45-20)29-10-9-21(31)30(27(29)36)11-18-17-7-5-6-8-19(17)46-28-18/h1-24,38,40-42,50-51H,25-28H2,(H,55,56);10-15,24,26-28,40-41H,16-20H2,1-9H3;11-16,19-20,24,26-30,40-41H,17-18H2,1-10H3,(H,45,46);9-14,17-18,22,24-26,36-37H,15-16H2,1-8H3,(H,41,42);7-12,20,22-24,34-35H,13-16H2,1-6H3,(H,39,40);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38)/t38-,40+,41?,42-;24-,26+,27?,28-,58?;24-,26+,27?,28-,29?,30?,57?;17?,18?,22-,24+,25?,26-,53?;3*20-,22+,23?,24-/m1111111/s1
InChIKeyRDCPHBUJFLNFQK-VDVQCPDKSA-N
MW5739.51 g/mol
LogP22.62
Rot. Bonds111

About [[(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

[[(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 (PubChem CID 160591735) has the molecular formula C229H291N21O123P14 and a molecular weight of 5739.51 g/mol. Its IUPAC name is [[(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.

Molecular Properties

Compound Name[[(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
PubChem CID160591735
Molecular FormulaC229H291N21O123P14
Molecular Weight5739.51 g/mol
Exact Mass5736.35
IUPAC Name[[(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
SMILESCC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.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(O)[C@H]1O.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(O)[C@H]1O.CC(OC(=O)C(C)(C)C)OP(=O)(OC(C)OC(=O)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.O=C(Oc1ccc(COP(=O)(OCc2ccc(OC(=O)c3ccccc3)cc2)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)n(Cc4noc5ccccc45)c3=O)C(O)[C@H]2O)cc1)c1ccccc1
InChIInChI=1S/C45H39N3O17P2.C35H49N3O19P2.C35H51N3O17P2.C31H43N3O17P2.C29H39N3O17P2.C27H35N3O19P2.C27H35N3O17P2/c49-39-23-24-47(45(54)48(39)25-36-35-13-7-8-14-37(35)64-46-36)42-41(51)40(50)38(63-42)28-58-66(55,56)65-67(57,59-26-29-15-19-33(20-16-29)61-43(52)31-9-3-1-4-10-31)60-27-30-17-21-34(22-18-30)62-44(53)32-11-5-2-6-12-32;1-33(2,3)29(42)48-18-52-58(46,57-59(47,53-19-49-30(43)34(4,5)6)54-20-50-31(44)35(7,8)9)51-17-24-26(40)27(41)28(55-24)37-15-14-25(39)38(32(37)45)16-22-21-12-10-11-13-23(21)56-36-22;1-19(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(45-27(38)30(3,4)5)49-53(43,50-18(2)46-28(39)31(6,7)8)51-52(41,42)44-16-22-24(36)25(37)26(47-22)33-14-13-23(35)34(29(33)40)15-20-19-11-9-10-12-21(19)48-32-20;1-28(2,3)25(36)42-15-45-51(41,46-16-43-26(37)29(4,5)6)49-50(39,40)44-14-20-22(34)23(35)24(47-20)31-12-11-21(33)32(27(31)38)13-18-17-9-7-8-10-19(17)48-30-18;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;1-15(2)25(34)40-13-43-49(39,44-14-41-26(35)16(3)4)47-48(37,38)42-12-20-22(32)23(33)24(45-20)29-10-9-21(31)30(27(29)36)11-18-17-7-5-6-8-19(17)46-28-18/h1-24,38,40-42,50-51H,25-28H2,(H,55,56);10-15,24,26-28,40-41H,16-20H2,1-9H3;11-16,19-20,24,26-30,40-41H,17-18H2,1-10H3,(H,45,46);9-14,17-18,22,24-26,36-37H,15-16H2,1-8H3,(H,41,42);7-12,20,22-24,34-35H,13-16H2,1-6H3,(H,39,40);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38)/t38-,40+,41?,42-;24-,26+,27?,28-,58?;24-,26+,27?,28-,29?,30?,57?;17?,18?,22-,24+,25?,26-,53?;3*20-,22+,23?,24-/m1111111/s1
InChIKeyRDCPHBUJFLNFQK-VDVQCPDKSA-N
XLogP22.62
TPSA1879.03 Ų
H-Bond Donors20
H-Bond Acceptors138
Rotatable Bonds111
Heavy Atoms387
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005739.51
LogP ≤ 522.62
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 10138

Analyze [[(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 with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [[(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?
The IUPAC name of [[(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) is [[(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.
What is the SMILES notation for [[(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?
The canonical SMILES for [[(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 is CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.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(O)[C@H]1O.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(O)[C@H]1O.CC(OC(=O)C(C)(C)C)OP(=O)(OC(C)OC(=O)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)n(Cc3noc4ccccc34)c2=O)C(O)[C@H]1O.O=C(Oc1ccc(COP(=O)(OCc2ccc(OC(=O)c3ccccc3)cc2)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)n(Cc4noc5ccccc45)c3=O)C(O)[C@H]2O)cc1)c1ccccc1.
What is the InChIKey of [[(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?
The InChIKey is RDCPHBUJFLNFQK-VDVQCPDKSA-N. The full InChI is InChI=1S/C45H39N3O17P2.C35H49N3O19P2.C35H51N3O17P2.C31H43N3O17P2.C29H39N3O17P2.C27H35N3O19P2.C27H35N3O17P2/c49-39-23-24-47(45(54)48(39)25-36-35-13-7-8-14-37(35)64-46-36)42-41(51)40(50)38(63-42)28-58-66(55,56)65-67(57,59-26-29-15-19-33(20-16-29)61-43(52)31-9-3-1-4-10-31)60-27-30-17-21-34(22-18-30)62-44(53)32-11-5-2-6-12-32;1-33(2,3)29(42)48-18-52-58(46,57-59(47,53-19-49-30(43)34(4,5)6)54-20-50-31(44)35(7,8)9)51-17-24-26(40)27(41)28(55-24)37-15-14-25(39)38(32(37)45)16-22-21-12-10-11-13-23(21)56-36-22;1-19(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(45-27(38)30(3,4)5)49-53(43,50-18(2)46-28(39)31(6,7)8)51-52(41,42)44-16-22-24(36)25(37)26(47-22)33-14-13-23(35)34(29(33)40)15-20-19-11-9-10-12-21(19)48-32-20;1-28(2,3)25(36)42-15-45-51(41,46-16-43-26(37)29(4,5)6)49-50(39,40)44-14-20-22(34)23(35)24(47-20)31-12-11-21(33)32(27(31)38)13-18-17-9-7-8-10-19(17)48-30-18;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;1-15(2)25(34)40-13-43-49(39,44-14-41-26(35)16(3)4)47-48(37,38)42-12-20-22(32)23(33)24(45-20)29-10-9-21(31)30(27(29)36)11-18-17-7-5-6-8-19(17)46-28-18/h1-24,38,40-42,50-51H,25-28H2,(H,55,56);10-15,24,26-28,40-41H,16-20H2,1-9H3;11-16,19-20,24,26-30,40-41H,17-18H2,1-10H3,(H,45,46);9-14,17-18,22,24-26,36-37H,15-16H2,1-8H3,(H,41,42);7-12,20,22-24,34-35H,13-16H2,1-6H3,(H,39,40);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38);5-10,15-16,20,22-24,32-33H,11-14H2,1-4H3,(H,37,38)/t38-,40+,41?,42-;24-,26+,27?,28-,58?;24-,26+,27?,28-,29?,30?,57?;17?,18?,22-,24+,25?,26-,53?;3*20-,22+,23?,24-/m1111111/s1.
What are the key properties of [[(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?
[[(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 has a molecular weight of 5739.51 g/mol, XLogP of 22.62, 111 rotatable bonds, 20 hydrogen bond donors, and 138 hydrogen bond acceptors.
Where does this data come from?
All data for [[(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 is sourced from PubChem (CID 160591735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).