[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

C88H101F10N13O59P10 — CID 159289008

IUPAC[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESCn1nc(Cn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]3O)c2=O)c2ccccc21.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CCc1ccc(F)cc1F.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1Cc1noc2ccccc12
InChIInChI=1S/2C18H20F4N2O11P2.C18H22N4O12P2.C17H20F2N2O12P2.C17H19N3O13P2/c19-10-2-1-9(11(20)7-10)3-5-23-13(25)4-6-24(17(23)28)16-15(27)14(26)12(35-16)8-34-37(32,33)18(21,22)36(29,30)31;19-17(20,10-4-2-1-3-5-10)9-24-12(25)6-7-23(16(24)28)15-14(27)13(26)11(35-15)8-34-37(32,33)18(21,22)36(29,30)31;1-20-12-5-3-2-4-10(12)11(19-20)8-22-14(23)6-7-21(18(22)26)17-16(25)15(24)13(33-17)9-32-36(30,31)34-35(27,28)29;18-17(19,10-4-2-1-3-5-10)9-21-12(22)6-7-20(16(21)25)15-14(24)13(23)11(32-15)8-31-35(29,30)33-34(26,27)28;21-13-5-6-19(17(24)20(13)7-10-9-3-1-2-4-11(9)32-18-10)16-15(23)14(22)12(31-16)8-30-35(28,29)33-34(25,26)27/h1-2,4,6-7,12,14-16,26-27H,3,5,8H2,(H,32,33)(H2,29,30,31);1-7,11,13-15,26-27H,8-9H2,(H,32,33)(H2,29,30,31);2-7,13,15-17,24-25H,8-9H2,1H3,(H,30,31)(H2,27,28,29);1-7,11,13-15,23-24H,8-9H2,(H,29,30)(H2,26,27,28);1-6,12,14-16,22-23H,7-8H2,(H,28,29)(H2,25,26,27)/t12-,14?,15+,16-;11-,13?,14+,15-;13-,15?,16+,17-;11-,13?,14+,15-;12-,14?,15+,16-/m11111/s1
InChIKeyKZWIIEUTUDUGSN-CHFIDCIWSA-N
MW2784.53 g/mol
LogP-2.09
Rot. Bonds43

About [(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate (PubChem CID 159289008) has the molecular formula C88H101F10N13O59P10 and a molecular weight of 2784.53 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]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
PubChem CID159289008
Molecular FormulaC88H101F10N13O59P10
Molecular Weight2784.53 g/mol
Exact Mass2783.25
IUPAC Name[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESCn1nc(Cn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]3O)c2=O)c2ccccc21.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CCc1ccc(F)cc1F.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1Cc1noc2ccccc12
InChIInChI=1S/2C18H20F4N2O11P2.C18H22N4O12P2.C17H20F2N2O12P2.C17H19N3O13P2/c19-10-2-1-9(11(20)7-10)3-5-23-13(25)4-6-24(17(23)28)16-15(27)14(26)12(35-16)8-34-37(32,33)18(21,22)36(29,30)31;19-17(20,10-4-2-1-3-5-10)9-24-12(25)6-7-23(16(24)28)15-14(27)13(26)11(35-15)8-34-37(32,33)18(21,22)36(29,30)31;1-20-12-5-3-2-4-10(12)11(19-20)8-22-14(23)6-7-21(18(22)26)17-16(25)15(24)13(33-17)9-32-36(30,31)34-35(27,28)29;18-17(19,10-4-2-1-3-5-10)9-21-12(22)6-7-20(16(21)25)15-14(24)13(23)11(32-15)8-31-35(29,30)33-34(26,27)28;21-13-5-6-19(17(24)20(13)7-10-9-3-1-2-4-11(9)32-18-10)16-15(23)14(22)12(31-16)8-30-35(28,29)33-34(25,26)27/h1-2,4,6-7,12,14-16,26-27H,3,5,8H2,(H,32,33)(H2,29,30,31);1-7,11,13-15,26-27H,8-9H2,(H,32,33)(H2,29,30,31);2-7,13,15-17,24-25H,8-9H2,1H3,(H,30,31)(H2,27,28,29);1-7,11,13-15,23-24H,8-9H2,(H,29,30)(H2,26,27,28);1-6,12,14-16,22-23H,7-8H2,(H,28,29)(H2,25,26,27)/t12-,14?,15+,16-;11-,13?,14+,15-;13-,15?,16+,17-;11-,13?,14+,15-;12-,14?,15+,16-/m11111/s1
InChIKeyKZWIIEUTUDUGSN-CHFIDCIWSA-N
XLogP-2.09
TPSA1060.29 Ų
H-Bond Donors25
H-Bond Acceptors57
Rotatable Bonds43
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.53
LogP ≤ 5-2.09
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate with MolForge

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Related Compounds

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]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
The IUPAC name of [(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate (CID 159289008) is [(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate.
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]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
The canonical SMILES for [(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate is Cn1nc(Cn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]3O)c2=O)c2ccccc21.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CCc1ccc(F)cc1F.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)n1Cc1noc2ccccc12.
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]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
The InChIKey is KZWIIEUTUDUGSN-CHFIDCIWSA-N. The full InChI is InChI=1S/2C18H20F4N2O11P2.C18H22N4O12P2.C17H20F2N2O12P2.C17H19N3O13P2/c19-10-2-1-9(11(20)7-10)3-5-23-13(25)4-6-24(17(23)28)16-15(27)14(26)12(35-16)8-34-37(32,33)18(21,22)36(29,30)31;19-17(20,10-4-2-1-3-5-10)9-24-12(25)6-7-23(16(24)28)15-14(27)13(26)11(35-15)8-34-37(32,33)18(21,22)36(29,30)31;1-20-12-5-3-2-4-10(12)11(19-20)8-22-14(23)6-7-21(18(22)26)17-16(25)15(24)13(33-17)9-32-36(30,31)34-35(27,28)29;18-17(19,10-4-2-1-3-5-10)9-21-12(22)6-7-20(16(21)25)15-14(24)13(23)11(32-15)8-31-35(29,30)33-34(26,27)28;21-13-5-6-19(17(24)20(13)7-10-9-3-1-2-4-11(9)32-18-10)16-15(23)14(22)12(31-16)8-30-35(28,29)33-34(25,26)27/h1-2,4,6-7,12,14-16,26-27H,3,5,8H2,(H,32,33)(H2,29,30,31);1-7,11,13-15,26-27H,8-9H2,(H,32,33)(H2,29,30,31);2-7,13,15-17,24-25H,8-9H2,1H3,(H,30,31)(H2,27,28,29);1-7,11,13-15,23-24H,8-9H2,(H,29,30)(H2,26,27,28);1-6,12,14-16,22-23H,7-8H2,(H,28,29)(H2,25,26,27)/t12-,14?,15+,16-;11-,13?,14+,15-;13-,15?,16+,17-;11-,13?,14+,15-;12-,14?,15+,16-/m11111/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]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
[(2R,4S,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate has a molecular weight of 2784.53 g/mol, XLogP of -2.09, 43 rotatable bonds, 25 hydrogen bond donors, and 57 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]methyl phosphono hydrogen phosphate;[[[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[[[(2R,4S,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid;[(2R,4S,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,4S,5R)-3,4-dihydroxy-5-[3-[(1-methylindazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate is sourced from PubChem (CID 159289008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).