[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate

C229H372F16N16O68P8 — CID 158976574

IUPAC[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate
SMILESCCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCCCCCC)OCCCCCC)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCCCCCCCC)OCCCCCCCC)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCOP(=O)(OCCCCCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCCCCCC.CCCCCOP(=O)(OCCCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCCCC.CCCOP(=O)(OCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCC.Cc1ccn([C@@H]2O[C@H](COP(=O)(OC(C)C)OC(C)C)[C@@H](OC(=O)C(C)C)C2(F)F)c(=O)n1
InChIInChI=1S/C43H77F2N2O8P.C32H55F2N2O8P.C31H49F2N2O12P.C31H53F2N2O8P.C26H33F2N2O8P.C26H43F2N2O8P.2C20H31F2N2O8P/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-28-31-39(48)55-40-38(54-41(43(40,44)45)47-33-32-37(4)46-42(47)49)36-53-56(50,51-34-29-26-15-12-9-6-2)52-35-30-27-16-13-10-7-3;1-5-8-11-14-17-20-28(37)44-29-27(43-30(32(29,33)34)36-22-21-26(4)35-31(36)38)25-42-45(39,40-23-18-15-12-9-6-2)41-24-19-16-13-10-7-3;1-9-10-11-12-13-14-15-23(36)47-24-22(46-25(31(24,32)33)35-17-16-21(2)34-28(35)39)18-43-48(40,44-19-41-26(37)29(3,4)5)45-20-42-27(38)30(6,7)8;1-5-8-11-14-15-16-19-27(36)43-28-26(42-29(31(28,32)33)35-21-20-25(4)34-30(35)37)24-41-44(38,39-22-17-12-9-6-2)40-23-18-13-10-7-3;1-3-4-5-6-7-8-13-22(31)37-23-21(17-35-39(33)34-16-19-11-9-10-12-20(19)38-39)36-24(26(23,27)28)30-15-14-18(2)29-25(30)32;1-5-8-11-14-22(31)38-23-21(37-24(26(23,27)28)30-16-15-20(4)29-25(30)32)19-36-39(33,34-17-12-9-6-2)35-18-13-10-7-3;1-11(2)17(25)30-16-15(10-28-33(27,31-12(3)4)32-13(5)6)29-18(20(16,21)22)24-9-8-14(7)23-19(24)26;1-5-8-16(25)32-17-15(13-30-33(27,28-11-6-2)29-12-7-3)31-18(20(17,21)22)24-10-9-14(4)23-19(24)26/h32-33,38,40-41H,5-31,34-36H2,1-4H3;21-22,27,29-30H,5-20,23-25H2,1-4H3;16-17,22,24-25H,9-15,18-20H2,1-8H3;20-21,26,28-29H,5-19,22-24H2,1-4H3;9-12,14-15,21,23-24H,3-8,13,16-17H2,1-2H3;15-16,21,23-24H,5-14,17-19H2,1-4H3;8-9,11-13,15-16,18H,10H2,1-7H3;9-10,15,17-18H,5-8,11-13H2,1-4H3/t38-,40-,41-;27-,29-,30-;22-,24-,25-;26-,28-,29-;21-,23-,24-,39?;21-,23-,24-;15-,16-,18-;15-,17-,18-/m11111111/s1
InChIKeyJOLVGBCYEXULRK-QAKBIFERSA-N
MW4989.30 g/mol
LogP54.26
Rot. Bonds157

About [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate

[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate (PubChem CID 158976574) has the molecular formula C229H372F16N16O68P8 and a molecular weight of 4989.30 g/mol. Its IUPAC name is [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate.

Molecular Properties

Compound Name[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate
PubChem CID158976574
Molecular FormulaC229H372F16N16O68P8
Molecular Weight4989.30 g/mol
Exact Mass4986.38
IUPAC Name[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate
SMILESCCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCCCCCC)OCCCCCC)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCCCCCCCC)OCCCCCCCC)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCOP(=O)(OCCCCCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCCCCCC.CCCCCOP(=O)(OCCCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCCCC.CCCOP(=O)(OCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCC.Cc1ccn([C@@H]2O[C@H](COP(=O)(OC(C)C)OC(C)C)[C@@H](OC(=O)C(C)C)C2(F)F)c(=O)n1
InChIInChI=1S/C43H77F2N2O8P.C32H55F2N2O8P.C31H49F2N2O12P.C31H53F2N2O8P.C26H33F2N2O8P.C26H43F2N2O8P.2C20H31F2N2O8P/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-28-31-39(48)55-40-38(54-41(43(40,44)45)47-33-32-37(4)46-42(47)49)36-53-56(50,51-34-29-26-15-12-9-6-2)52-35-30-27-16-13-10-7-3;1-5-8-11-14-17-20-28(37)44-29-27(43-30(32(29,33)34)36-22-21-26(4)35-31(36)38)25-42-45(39,40-23-18-15-12-9-6-2)41-24-19-16-13-10-7-3;1-9-10-11-12-13-14-15-23(36)47-24-22(46-25(31(24,32)33)35-17-16-21(2)34-28(35)39)18-43-48(40,44-19-41-26(37)29(3,4)5)45-20-42-27(38)30(6,7)8;1-5-8-11-14-15-16-19-27(36)43-28-26(42-29(31(28,32)33)35-21-20-25(4)34-30(35)37)24-41-44(38,39-22-17-12-9-6-2)40-23-18-13-10-7-3;1-3-4-5-6-7-8-13-22(31)37-23-21(17-35-39(33)34-16-19-11-9-10-12-20(19)38-39)36-24(26(23,27)28)30-15-14-18(2)29-25(30)32;1-5-8-11-14-22(31)38-23-21(37-24(26(23,27)28)30-16-15-20(4)29-25(30)32)19-36-39(33,34-17-12-9-6-2)35-18-13-10-7-3;1-11(2)17(25)30-16-15(10-28-33(27,31-12(3)4)32-13(5)6)29-18(20(16,21)22)24-9-8-14(7)23-19(24)26;1-5-8-16(25)32-17-15(13-30-33(27,28-11-6-2)29-12-7-3)31-18(20(17,21)22)24-10-9-14(4)23-19(24)26/h32-33,38,40-41H,5-31,34-36H2,1-4H3;21-22,27,29-30H,5-20,23-25H2,1-4H3;16-17,22,24-25H,9-15,18-20H2,1-8H3;20-21,26,28-29H,5-19,22-24H2,1-4H3;9-12,14-15,21,23-24H,3-8,13,16-17H2,1-2H3;15-16,21,23-24H,5-14,17-19H2,1-4H3;8-9,11-13,15-16,18H,10H2,1-7H3;9-10,15,17-18H,5-8,11-13H2,1-4H3/t38-,40-,41-;27-,29-,30-;22-,24-,25-;26-,28-,29-;21-,23-,24-,39?;21-,23-,24-;15-,16-,18-;15-,17-,18-/m11111111/s1
InChIKeyJOLVGBCYEXULRK-QAKBIFERSA-N
XLogP54.26
TPSA974.04 Ų
H-Bond Donors
H-Bond Acceptors84
Rotatable Bonds157
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004989.30
LogP ≤ 554.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1084

Analyze [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate with MolForge

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Related Compounds

[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonadecanoate
CID 159173865
[(2R,3R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate
CID 155328288
[(3R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate
CID 137469462
[(3R)-4,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate
CID 137469461
[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyrimidin-1-yl]oxolan-3-yl] nonanoate
CID 157073470
[(2R,3R,5R)-4,4-difluoro-5-[4-(hexoxycarbonylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 8-oxo-9-phenylnonanoate
CID 147001028
[(2R,3R,5R)-4,4-difluoro-5-[4-(heptoxycarbonylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 6-oxo-7-phenylheptanoate
CID 149335463
4-amino-1-[(2R,3S,5R)-4,4-difluoro-3-hydroxy-5-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 162596169
[(2R,3R,5R)-4,4-difluoro-3-(2-methylpropanoyloxy)-5-[2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]oxolan-2-yl]methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 156902941
[(2R,3R,5R)-4,4-difluoro-3-(2-methylpropanoyloxy)-5-[2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]oxolan-2-yl]methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 156902928
4-amino-1-[5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 123517765
[(2S,5R,7R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-dihexoxyphosphoryloxy-6,6-difluoro-4-oxaspiro[2.4]heptan-7-yl] nonanoate
CID 153339513

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate?
The IUPAC name of [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate (CID 158976574) is [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate.
What is the SMILES notation for [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate?
The canonical SMILES for [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate is CCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCCCCCC)OCCCCCC)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](COP(=O)(OCCCCCCCC)OCCCCCCCC)O[C@@H](n2ccc(C)nc2=O)C1(F)F.CCCCCCCOP(=O)(OCCCCCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCCCCCC.CCCCCOP(=O)(OCCCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCCCC.CCCOP(=O)(OCCC)OC[C@H]1O[C@@H](n2ccc(C)nc2=O)C(F)(F)[C@@H]1OC(=O)CCC.Cc1ccn([C@@H]2O[C@H](COP(=O)(OC(C)C)OC(C)C)[C@@H](OC(=O)C(C)C)C2(F)F)c(=O)n1.
What is the InChIKey of [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate?
The InChIKey is JOLVGBCYEXULRK-QAKBIFERSA-N. The full InChI is InChI=1S/C43H77F2N2O8P.C32H55F2N2O8P.C31H49F2N2O12P.C31H53F2N2O8P.C26H33F2N2O8P.C26H43F2N2O8P.2C20H31F2N2O8P/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-28-31-39(48)55-40-38(54-41(43(40,44)45)47-33-32-37(4)46-42(47)49)36-53-56(50,51-34-29-26-15-12-9-6-2)52-35-30-27-16-13-10-7-3;1-5-8-11-14-17-20-28(37)44-29-27(43-30(32(29,33)34)36-22-21-26(4)35-31(36)38)25-42-45(39,40-23-18-15-12-9-6-2)41-24-19-16-13-10-7-3;1-9-10-11-12-13-14-15-23(36)47-24-22(46-25(31(24,32)33)35-17-16-21(2)34-28(35)39)18-43-48(40,44-19-41-26(37)29(3,4)5)45-20-42-27(38)30(6,7)8;1-5-8-11-14-15-16-19-27(36)43-28-26(42-29(31(28,32)33)35-21-20-25(4)34-30(35)37)24-41-44(38,39-22-17-12-9-6-2)40-23-18-13-10-7-3;1-3-4-5-6-7-8-13-22(31)37-23-21(17-35-39(33)34-16-19-11-9-10-12-20(19)38-39)36-24(26(23,27)28)30-15-14-18(2)29-25(30)32;1-5-8-11-14-22(31)38-23-21(37-24(26(23,27)28)30-16-15-20(4)29-25(30)32)19-36-39(33,34-17-12-9-6-2)35-18-13-10-7-3;1-11(2)17(25)30-16-15(10-28-33(27,31-12(3)4)32-13(5)6)29-18(20(16,21)22)24-9-8-14(7)23-19(24)26;1-5-8-16(25)32-17-15(13-30-33(27,28-11-6-2)29-12-7-3)31-18(20(17,21)22)24-10-9-14(4)23-19(24)26/h32-33,38,40-41H,5-31,34-36H2,1-4H3;21-22,27,29-30H,5-20,23-25H2,1-4H3;16-17,22,24-25H,9-15,18-20H2,1-8H3;20-21,26,28-29H,5-19,22-24H2,1-4H3;9-12,14-15,21,23-24H,3-8,13,16-17H2,1-2H3;15-16,21,23-24H,5-14,17-19H2,1-4H3;8-9,11-13,15-16,18H,10H2,1-7H3;9-10,15,17-18H,5-8,11-13H2,1-4H3/t38-,40-,41-;27-,29-,30-;22-,24-,25-;26-,28-,29-;21-,23-,24-,39?;21-,23-,24-;15-,16-,18-;15-,17-,18-/m11111111/s1.
What are the key properties of [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate?
[(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate has a molecular weight of 4989.30 g/mol, XLogP of 54.26, 157 rotatable bonds, 0 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)-2-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(diheptoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] octanoate;[(2R,3R,5R)-2-(dihexoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] nonanoate;[(2R,3R,5R)-2-(dioctoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] heptadecanoate;[(2R,3R,5R)-2-(dipentoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hexanoate;[(2R,3R,5R)-2-[di(propan-2-yloxy)phosphoryloxymethyl]-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] 2-methylpropanoate;[(2R,3R,5R)-2-(dipropoxyphosphoryloxymethyl)-4,4-difluoro-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] butanoate is sourced from PubChem (CID 158976574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).