[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C104H131F10N16O29P — CID 159027330

About [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 159027330) has the molecular formula C104H131F10N16O29P and a molecular weight of 2290.23 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

• Compound Name: [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
• PubChem CID: 159027330
• Molecular Formula: C104H131F10N16O29P
• Molecular Weight: 2290.23 g/mol
• Exact Mass: 2288.88
• IUPAC Name: [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
• SMILES: CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(F)(F)COC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OC(F)(F)COC)[C@@H]1C.COCC(F)(F)O[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.COCC(F)(F)O[C@@H]1[C@H](C)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(N)nc1=O.[C-]#[N+]CCOP(OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OC(F)(F)COC)[C@@H]1C)N(C(C)C)C(C)C
• InChI: InChI=1S/C29H40F2N5O7P.C21H25F2N3O5.2C20H23F2N3O6.C14H20F2N2O5/c1-19(2)36(20(3)4)44(40-16-14-32-6)41-17-23-21(5)25(43-29(30,31)18-39-7)27(42-23)35-15-13-24(34-28(35)38)33-26(37)22-11-9-8-10-12-22;1-4-15-13(2)17(31-21(22,23)12-29-3)19(30-15)26-11-10-16(25-20(26)28)24-18(27)14-8-6-5-7-9-14;1-12-14(10-29-18(26)13-6-4-3-5-7-13)30-17(16(12)31-20(21,22)11-28-2)25-9-8-15(23)24-19(25)27;1-12-14(10-26)30-18(16(12)31-20(21,22)11-29-2)25-9-8-15(24-19(25)28)23-17(27)13-6-4-3-5-7-13;1-4-9-8(2)11(23-14(15,16)7-21-3)12(22-9)18-6-5-10(19)17-13(18)20/h8-13,15,19-21,23,25,27H,14,16-18H2,1-5,7H3,(H,33,34,37,38);5-11,13,15,17,19H,4,12H2,1-3H3,(H,24,25,27,28);3-9,12,14,16-17H,10-11H2,1-2H3,(H2,23,24,27);3-9,12,14,16,18,26H,10-11H2,1-2H3,(H,23,24,27,28);5-6,8-9,11-12H,4,7H2,1-3H3,(H,17,19,20)/t21-,23-,25-,27-,44?;13-,15-,17-,19-;12-,14-,16-,17-;12-,14-,16-,18-;8-,9-,11-,12-/m11111/s1
• InChIKey: JULFDMNTJKADQN-UUQGVQBYSA-N
• XLogP: 12.61
• TPSA: 518.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 46
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.23
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?

The IUPAC name of [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 159027330) is [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

What is the SMILES notation for [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?

The canonical SMILES for [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(F)(F)COC)[C@@H]1C.CC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OC(F)(F)COC)[C@@H]1C.COCC(F)(F)O[C@@H]1[C@H](C)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.COCC(F)(F)O[C@@H]1[C@H](C)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(N)nc1=O.[C-]#[N+]CCOP(OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@H](OC(F)(F)COC)[C@@H]1C)N(C(C)C)C(C)C.

What is the InChIKey of [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?

The InChIKey is JULFDMNTJKADQN-UUQGVQBYSA-N. The full InChI is InChI=1S/C29H40F2N5O7P.C21H25F2N3O5.2C20H23F2N3O6.C14H20F2N2O5/c1-19(2)36(20(3)4)44(40-16-14-32-6)41-17-23-21(5)25(43-29(30,31)18-39-7)27(42-23)35-15-13-24(34-28(35)38)33-26(37)22-11-9-8-10-12-22;1-4-15-13(2)17(31-21(22,23)12-29-3)19(30-15)26-11-10-16(25-20(26)28)24-18(27)14-8-6-5-7-9-14;1-12-14(10-29-18(26)13-6-4-3-5-7-13)30-17(16(12)31-20(21,22)11-28-2)25-9-8-15(23)24-19(25)27;1-12-14(10-26)30-18(16(12)31-20(21,22)11-29-2)25-9-8-15(24-19(25)28)23-17(27)13-6-4-3-5-7-13;1-4-9-8(2)11(23-14(15,16)7-21-3)12(22-9)18-6-5-10(19)17-13(18)20/h8-13,15,19-21,23,25,27H,14,16-18H2,1-5,7H3,(H,33,34,37,38);5-11,13,15,17,19H,4,12H2,1-3H3,(H,24,25,27,28);3-9,12,14,16-17H,10-11H2,1-2H3,(H2,23,24,27);3-9,12,14,16,18,26H,10-11H2,1-2H3,(H,23,24,27,28);5-6,8-9,11-12H,4,7H2,1-3H3,(H,17,19,20)/t21-,23-,25-,27-,44?;13-,15-,17-,19-;12-,14-,16-,17-;12-,14-,16-,18-;8-,9-,11-,12-/m11111/s1.

What are the key properties of [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?

[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 2290.23 g/mol, XLogP of 12.61, 46 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(1,1-difluoro-2-methoxyethoxy)-3-methyloxolan-2-yl]methyl benzoate;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-3-(1,1-difluoro-2-methoxyethoxy)-5-ethyl-4-methyloxolan-2-yl]pyrimidine-2,4-dione;N-[1-[(2R,3R,4R,5S)-3-(1,1-difluoro-2-methoxyethoxy)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 159027330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).