[(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

C82H96Br2F8I2N12O60P10 — CID 159747219

IUPAC[(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESCn1ccc(Cn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C3O)c2=O)n1.O=c1c(Br)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1c(Br)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CCc1ccc(F)cc1F.O=c1c(I)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1c(I)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CCc1ccc(F)cc1F
InChIInChI=1S/2C17H19BrF2N2O12P2.2C17H19F2IN2O12P2.C14H20N4O12P2/c18-10-6-22(17(26)21(15(10)25)4-3-8-1-2-9(19)5-11(8)20)16-14(24)13(23)12(33-16)7-32-36(30,31)34-35(27,28)29;18-10-6-21(16(26)22(14(10)25)8-17(19,20)9-4-2-1-3-5-9)15-13(24)12(23)11(33-15)7-32-36(30,31)34-35(27,28)29;18-9-2-1-8(10(19)5-9)3-4-21-15(25)11(20)6-22(17(21)26)16-14(24)13(23)12(33-16)7-32-36(30,31)34-35(27,28)29;18-17(19,9-4-2-1-3-5-9)8-22-14(25)10(20)6-21(16(22)26)15-13(24)12(23)11(33-15)7-32-36(30,31)34-35(27,28)29;1-16-4-2-8(15-16)6-18-10(19)3-5-17(14(18)22)13-12(21)11(20)9(29-13)7-28-32(26,27)30-31(23,24)25/h1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H2,27,28,29);1-6,11-13,15,23-24H,7-8H2,(H,30,31)(H2,27,28,29);1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H2,27,28,29);1-6,11-13,15,23-24H,7-8H2,(H,30,31)(H2,27,28,29);2-5,9,11-13,20-21H,6-7H2,1H3,(H,26,27)(H2,23,24,25)/t12-,13+,14?,16-;11-,12+,13?,15-;12-,13+,14?,16-;11-,12+,13?,15-;9-,11+,12?,13-/m11111/s1
InChIKeyNDEPOSZLBAUFLB-NWWSMORESA-N
MW3085.03 g/mol
LogP-1.58
Rot. Bonds44

About [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

[(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate (PubChem CID 159747219) has the molecular formula C82H96Br2F8I2N12O60P10 and a molecular weight of 3085.03 g/mol. Its IUPAC name is [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
PubChem CID159747219
Molecular FormulaC82H96Br2F8I2N12O60P10
Molecular Weight3085.03 g/mol
Exact Mass3081.85
IUPAC Name[(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
SMILESCn1ccc(Cn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C3O)c2=O)n1.O=c1c(Br)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1c(Br)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CCc1ccc(F)cc1F.O=c1c(I)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1c(I)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CCc1ccc(F)cc1F
InChIInChI=1S/2C17H19BrF2N2O12P2.2C17H19F2IN2O12P2.C14H20N4O12P2/c18-10-6-22(17(26)21(15(10)25)4-3-8-1-2-9(19)5-11(8)20)16-14(24)13(23)12(33-16)7-32-36(30,31)34-35(27,28)29;18-10-6-21(16(26)22(14(10)25)8-17(19,20)9-4-2-1-3-5-9)15-13(24)12(23)11(33-15)7-32-36(30,31)34-35(27,28)29;18-9-2-1-8(10(19)5-9)3-4-21-15(25)11(20)6-22(17(21)26)16-14(24)13(23)12(33-16)7-32-36(30,31)34-35(27,28)29;18-17(19,9-4-2-1-3-5-9)8-22-14(25)10(20)6-21(16(22)26)15-13(24)12(23)11(33-15)7-32-36(30,31)34-35(27,28)29;1-16-4-2-8(15-16)6-18-10(19)3-5-17(14(18)22)13-12(21)11(20)9(29-13)7-28-32(26,27)30-31(23,24)25/h1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H2,27,28,29);1-6,11-13,15,23-24H,7-8H2,(H,30,31)(H2,27,28,29);1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H2,27,28,29);1-6,11-13,15,23-24H,7-8H2,(H,30,31)(H2,27,28,29);2-5,9,11-13,20-21H,6-7H2,1H3,(H,26,27)(H2,23,24,25)/t12-,13+,14?,16-;11-,12+,13?,15-;12-,13+,14?,16-;11-,12+,13?,15-;9-,11+,12?,13-/m11111/s1
InChIKeyNDEPOSZLBAUFLB-NWWSMORESA-N
XLogP-1.58
TPSA1052.72 Ų
H-Bond Donors25
H-Bond Acceptors57
Rotatable Bonds44
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003085.03
LogP ≤ 5-1.58
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
The IUPAC name of [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate (CID 159747219) is [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate.
What is the SMILES notation for [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
The canonical SMILES for [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate is Cn1ccc(Cn2c(=O)ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C3O)c2=O)n1.O=c1c(Br)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1c(Br)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CCc1ccc(F)cc1F.O=c1c(I)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CC(F)(F)c1ccccc1.O=c1c(I)cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1CCc1ccc(F)cc1F.
What is the InChIKey of [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
The InChIKey is NDEPOSZLBAUFLB-NWWSMORESA-N. The full InChI is InChI=1S/2C17H19BrF2N2O12P2.2C17H19F2IN2O12P2.C14H20N4O12P2/c18-10-6-22(17(26)21(15(10)25)4-3-8-1-2-9(19)5-11(8)20)16-14(24)13(23)12(33-16)7-32-36(30,31)34-35(27,28)29;18-10-6-21(16(26)22(14(10)25)8-17(19,20)9-4-2-1-3-5-9)15-13(24)12(23)11(33-15)7-32-36(30,31)34-35(27,28)29;18-9-2-1-8(10(19)5-9)3-4-21-15(25)11(20)6-22(17(21)26)16-14(24)13(23)12(33-16)7-32-36(30,31)34-35(27,28)29;18-17(19,9-4-2-1-3-5-9)8-22-14(25)10(20)6-21(16(22)26)15-13(24)12(23)11(33-15)7-32-36(30,31)34-35(27,28)29;1-16-4-2-8(15-16)6-18-10(19)3-5-17(14(18)22)13-12(21)11(20)9(29-13)7-28-32(26,27)30-31(23,24)25/h1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H2,27,28,29);1-6,11-13,15,23-24H,7-8H2,(H,30,31)(H2,27,28,29);1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H2,27,28,29);1-6,11-13,15,23-24H,7-8H2,(H,30,31)(H2,27,28,29);2-5,9,11-13,20-21H,6-7H2,1H3,(H,26,27)(H2,23,24,25)/t12-,13+,14?,16-;11-,12+,13?,15-;12-,13+,14?,16-;11-,12+,13?,15-;9-,11+,12?,13-/m11111/s1.
What are the key properties of [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate?
[(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate has a molecular weight of 3085.03 g/mol, XLogP of -1.58, 44 rotatable bonds, 25 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-[5-bromo-3-(2,2-difluoro-2-phenylethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[5-bromo-3-[2-(2,4-difluorophenyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-(2,2-difluoro-2-phenylethyl)-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-5-[3-[2-(2,4-difluorophenyl)ethyl]-5-iodo-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate is sourced from PubChem (CID 159747219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).