4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C83H147N10O30P3S — CID 157278868

About 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 157278868) has the molecular formula C83H147N10O30P3S and a molecular weight of 1890.12 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 157278868
• Molecular Formula: C83H147N10O30P3S
• Molecular Weight: 1890.12 g/mol
• Exact Mass: 1888.92
• IUPAC Name: 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: COCCO[C@H]1C(OC(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@H]1C(OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@H]1C(OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(N)nc1=O.COCCO[C@H]1C(OP(O)(=S)OC(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(N)nc1=O
• InChI: InChI=1S/C21H38N3O8P.C21H37N2O9P.C21H36N2O6.C20H36N3O7PS/c1-13-12-24(19(25)23-17(13)22)18-16(29-10-9-28-8)15(14(30-18)11-20(2,3)4)31-33(26,27)32-21(5,6)7;1-13-12-23(19(25)22-17(13)24)18-16(29-10-9-28-8)15(14(30-18)11-20(2,3)4)31-33(26,27)32-21(5,6)7;1-13-12-23(19(25)22-17(13)24)18-16(27-10-9-26-8)15(29-21(5,6)7)14(28-18)11-20(2,3)4;1-12(2)29-31(25,32)30-15-14(10-20(4,5)6)28-18(16(15)27-9-8-26-7)23-11-13(3)17(21)22-19(23)24/h12,14-16,18H,9-11H2,1-8H3,(H,26,27)(H2,22,23,25);12,14-16,18H,9-11H2,1-8H3,(H,26,27)(H,22,24,25);12,14-16,18H,9-11H2,1-8H3,(H,22,24,25);11-12,14-16,18H,8-10H2,1-7H3,(H,25,32)(H2,21,22,24)/t3*14-,15?,16+,18-;14-,15?,16+,18-,31?/m1111/s1
• InChIKey: AZKSBGNKLOKHGE-UFJXSFRDSA-N
• XLogP: 10.23
• TPSA: 501.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.12
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 157278868) is 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is COCCO[C@H]1C(OC(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@H]1C(OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O.COCCO[C@H]1C(OP(=O)(O)OC(C)(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(N)nc1=O.COCCO[C@H]1C(OP(O)(=S)OC(C)C)[C@@H](CC(C)(C)C)O[C@H]1n1cc(C)c(N)nc1=O.

What is the InChIKey of 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is AZKSBGNKLOKHGE-UFJXSFRDSA-N. The full InChI is InChI=1S/C21H38N3O8P.C21H37N2O9P.C21H36N2O6.C20H36N3O7PS/c1-13-12-24(19(25)23-17(13)22)18-16(29-10-9-28-8)15(14(30-18)11-20(2,3)4)31-33(26,27)32-21(5,6)7;1-13-12-23(19(25)22-17(13)24)18-16(29-10-9-28-8)15(14(30-18)11-20(2,3)4)31-33(26,27)32-21(5,6)7;1-13-12-23(19(25)22-17(13)24)18-16(27-10-9-26-8)15(29-21(5,6)7)14(28-18)11-20(2,3)4;1-12(2)29-31(25,32)30-15-14(10-20(4,5)6)28-18(16(15)27-9-8-26-7)23-11-13(3)17(21)22-19(23)24/h12,14-16,18H,9-11H2,1-8H3,(H,26,27)(H2,22,23,25);12,14-16,18H,9-11H2,1-8H3,(H,26,27)(H,22,24,25);12,14-16,18H,9-11H2,1-8H3,(H,22,24,25);11-12,14-16,18H,8-10H2,1-7H3,(H,25,32)(H2,21,22,24)/t3*14-,15?,16+,18-;14-,15?,16+,18-,31?/m1111/s1.

What are the key properties of 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 1890.12 g/mol, XLogP of 10.23, 35 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidin-2-one;[(2R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)oxolan-3-yl] tert-butyl hydrogen phosphate;tert-butyl [(2R,4S,5R)-2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3S,5R)-5-(2,2-dimethylpropyl)-3-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 157278868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).