1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one

C75H102F6N11O22P3Si2 — CID 157118674

About 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one (PubChem CID 157118674) has the molecular formula C75H102F6N11O22P3Si2 and a molecular weight of 1772.78 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one
• PubChem CID: 157118674
• Molecular Formula: C75H102F6N11O22P3Si2
• Molecular Weight: 1772.78 g/mol
• Exact Mass: 1771.59
• IUPAC Name: 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one
• SMILES: C=C1C=CN([C@@H]2O[C@H](COP(=O)(NC3CCCN(C)C3=O)Oc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C(=O)N1.C=C1C=CN([C@@H]2O[C@H](COP(=O)(NC3CCN(C)C3=O)Oc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C(=O)N1.C=C1C=CN([C@@H]2O[C@H](COP(=O)(N[C@H]3CCOC3=O)Oc3ccccc3)[C@@H](O)C2(F)F)C(=O)N1
• InChI: InChI=1S/C28H41F2N4O7PSi.C27H39F2N4O7PSi.C20H22F2N3O8P/c1-19-15-17-34(26(36)31-19)25-28(29,30)23(41-43(6,7)27(2,3)4)22(39-25)18-38-42(37,40-20-12-9-8-10-13-20)32-21-14-11-16-33(5)24(21)35;1-18-13-16-33(25(35)30-18)24-27(28,29)22(40-42(6,7)26(2,3)4)21(38-24)17-37-41(36,39-19-11-9-8-10-12-19)31-20-14-15-32(5)23(20)34;1-12-7-9-25(19(28)23-12)18-20(21,22)16(26)15(32-18)11-31-34(29,24-14-8-10-30-17(14)27)33-13-5-3-2-4-6-13/h8-10,12-13,15,17,21-23,25H,1,11,14,16,18H2,2-7H3,(H,31,36)(H,32,37);8-13,16,20-22,24H,1,14-15,17H2,2-7H3,(H,30,35)(H,31,36);2-7,9,14-16,18,26H,1,8,10-11H2,(H,23,28)(H,24,29)/t21?,22-,23-,25-,42?;20?,21-,22-,24-,41?;14-,15+,16+,18+,34?/m110/s1
• InChIKey: AHRVIEBSZPMLGW-JJSMHRATSA-N
• XLogP: 11.89
• TPSA: 373.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.78
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one?

The IUPAC name of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one (CID 157118674) is 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one.

What is the SMILES notation for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one?

The canonical SMILES for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one is C=C1C=CN([C@@H]2O[C@H](COP(=O)(NC3CCCN(C)C3=O)Oc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C(=O)N1.C=C1C=CN([C@@H]2O[C@H](COP(=O)(NC3CCN(C)C3=O)Oc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)C2(F)F)C(=O)N1.C=C1C=CN([C@@H]2O[C@H](COP(=O)(N[C@H]3CCOC3=O)Oc3ccccc3)[C@@H](O)C2(F)F)C(=O)N1.

What is the InChIKey of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one?

The InChIKey is AHRVIEBSZPMLGW-JJSMHRATSA-N. The full InChI is InChI=1S/C28H41F2N4O7PSi.C27H39F2N4O7PSi.C20H22F2N3O8P/c1-19-15-17-34(26(36)31-19)25-28(29,30)23(41-43(6,7)27(2,3)4)22(39-25)18-38-42(37,40-20-12-9-8-10-13-20)32-21-14-11-16-33(5)24(21)35;1-18-13-16-33(25(35)30-18)24-27(28,29)22(40-42(6,7)26(2,3)4)21(38-24)17-37-41(36,39-19-11-9-8-10-12-19)31-20-14-15-32(5)23(20)34;1-12-7-9-25(19(28)23-12)18-20(21,22)16(26)15(32-18)11-31-34(29,24-14-8-10-30-17(14)27)33-13-5-3-2-4-6-13/h8-10,12-13,15,17,21-23,25H,1,11,14,16,18H2,2-7H3,(H,31,36)(H,32,37);8-13,16,20-22,24H,1,14-15,17H2,2-7H3,(H,30,35)(H,31,36);2-7,9,14-16,18,26H,1,8,10-11H2,(H,23,28)(H,24,29)/t21?,22-,23-,25-,42?;20?,21-,22-,24-,41?;14-,15+,16+,18+,34?/m110/s1.

What are the key properties of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one?

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one has a molecular weight of 1772.78 g/mol, XLogP of 11.89, 28 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopiperidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-[[[(1-methyl-2-oxopyrrolidin-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4-methylidenepyrimidin-2-one is sourced from PubChem (CID 157118674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).