tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione

C51H86N6O17P2S — CID 159451005

About tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione

tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 159451005) has the molecular formula C51H86N6O17P2S and a molecular weight of 1149.29 g/mol. Its IUPAC name is tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 159451005
• Molecular Formula: C51H86N6O17P2S
• Molecular Weight: 1149.29 g/mol
• Exact Mass: 1148.52
• IUPAC Name: tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CC(C)(C)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC(C)(C)C
• InChI: InChI=1S/C17H29N2O7P.C17H29N2O6PS.C17H28N2O4/c1-16(2,3)10-12-11(25-27(22,23)26-17(4,5)6)9-14(24-12)19-8-7-13(20)18-15(19)21;1-16(2,3)10-12-11(24-26(22,27)25-17(4,5)6)9-14(23-12)19-8-7-13(20)18-15(19)21;1-16(2,3)10-12-11(23-17(4,5)6)9-14(22-12)19-8-7-13(20)18-15(19)21/h7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H,18,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,22,27)(H,18,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,18,20,21)/t11-,12-,14-;11-,12-,14-,26?;11-,12-,14-/m111/s1
• InChIKey: LTJKFJQJAODPLR-GSPLUESESA-N
• XLogP: 7.68
• TPSA: 295.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.29
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione (CID 159451005) is tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione is CC(C)(C)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OP(=O)(O)OC(C)(C)C.CC(C)(C)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OP(O)(=S)OC(C)(C)C.

What is the InChIKey of tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is LTJKFJQJAODPLR-GSPLUESESA-N. The full InChI is InChI=1S/C17H29N2O7P.C17H29N2O6PS.C17H28N2O4/c1-16(2,3)10-12-11(25-27(22,23)26-17(4,5)6)9-14(24-12)19-8-7-13(20)18-15(19)21;1-16(2,3)10-12-11(24-26(22,27)25-17(4,5)6)9-14(23-12)19-8-7-13(20)18-15(19)21;1-16(2,3)10-12-11(23-17(4,5)6)9-14(22-12)19-8-7-13(20)18-15(19)21/h7-8,11-12,14H,9-10H2,1-6H3,(H,22,23)(H,18,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,22,27)(H,18,20,21);7-8,11-12,14H,9-10H2,1-6H3,(H,18,20,21)/t11-,12-,14-;11-,12-,14-,26?;11-,12-,14-/m111/s1.

What are the key properties of tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione?

tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1149.29 g/mol, XLogP of 7.68, 13 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 159451005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).