methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate

C48H67Cl2N8O58P7 — CID 159135998

About methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate

methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate (PubChem CID 159135998) has the molecular formula C48H67Cl2N8O58P7 and a molecular weight of 1971.79 g/mol. Its IUPAC name is methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate.

Molecular Properties

• Compound Name: methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate
• PubChem CID: 159135998
• Molecular Formula: C48H67Cl2N8O58P7
• Molecular Weight: 1971.79 g/mol
• Exact Mass: 1970.01
• IUPAC Name: methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate
• SMILES: COOC(=O)COc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O.COOC(=O)COc1cn([C@@H]2O[C@H](COP(=O)(Cl)Cl)[C@H](O)C2O)c(=O)[nH]c1=O.COOC(=O)COc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)[nH]c1=O.COOC(=O)COc1cn([C@@H]2O[C@H](COP3(=O)OP(=O)(O)OP(=O)(O)O3)[C@H](O)C2O)c(=O)[nH]c1=O
• InChI: InChI=1S/C12H15Cl2N2O11P.C12H19N2O19P3.C12H17N2O18P3.C12H16N2O10/c1-23-27-7(17)4-24-5-2-16(12(21)15-10(5)20)11-9(19)8(18)6(26-11)3-25-28(13,14)22;1-27-31-7(15)4-28-5-2-14(12(19)13-10(5)18)11-9(17)8(16)6(30-11)3-29-35(23,24)33-36(25,26)32-34(20,21)22;1-25-29-7(15)4-26-5-2-14(12(19)13-10(5)18)11-9(17)8(16)6(28-11)3-27-35(24)31-33(20,21)30-34(22,23)32-35;1-21-24-7(16)4-22-5-2-14(12(20)13-10(5)19)11-9(18)8(17)6(3-15)23-11/h2,6,8-9,11,18-19H,3-4H2,1H3,(H,15,20,21);2,6,8-9,11,16-17H,3-4H2,1H3,(H,23,24)(H,25,26)(H,13,18,19)(H2,20,21,22);2,6,8-9,11,16-17H,3-4H2,1H3,(H,20,21)(H,22,23)(H,13,18,19);2,6,8-9,11,15,17-18H,3-4H2,1H3,(H,13,19,20)/t4*6-,8+,9?,11-/m1111/s1
• InChIKey: KHMPMUCZSKMXEL-XTIJXUQQSA-N
• XLogP: -9.12
• TPSA: 932.18 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 56
• Rotatable Bonds: 34
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1971.79
LogP ≤ 5	-9.12
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate?

The IUPAC name of methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate (CID 159135998) is methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate.

What is the SMILES notation for methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate?

The canonical SMILES for methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate is COOC(=O)COc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O.COOC(=O)COc1cn([C@@H]2O[C@H](COP(=O)(Cl)Cl)[C@H](O)C2O)c(=O)[nH]c1=O.COOC(=O)COc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)[nH]c1=O.COOC(=O)COc1cn([C@@H]2O[C@H](COP3(=O)OP(=O)(O)OP(=O)(O)O3)[C@H](O)C2O)c(=O)[nH]c1=O.

What is the InChIKey of methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate?

The InChIKey is KHMPMUCZSKMXEL-XTIJXUQQSA-N. The full InChI is InChI=1S/C12H15Cl2N2O11P.C12H19N2O19P3.C12H17N2O18P3.C12H16N2O10/c1-23-27-7(17)4-24-5-2-16(12(21)15-10(5)20)11-9(19)8(18)6(26-11)3-25-28(13,14)22;1-27-31-7(15)4-28-5-2-14(12(19)13-10(5)18)11-9(17)8(16)6(30-11)3-29-35(23,24)33-36(25,26)32-34(20,21)22;1-25-29-7(15)4-26-5-2-14(12(19)13-10(5)18)11-9(17)8(16)6(28-11)3-27-35(24)31-33(20,21)30-34(22,23)32-35;1-21-24-7(16)4-22-5-2-14(12(20)13-10(5)19)11-9(18)8(17)6(3-15)23-11/h2,6,8-9,11,18-19H,3-4H2,1H3,(H,15,20,21);2,6,8-9,11,16-17H,3-4H2,1H3,(H,23,24)(H,25,26)(H,13,18,19)(H2,20,21,22);2,6,8-9,11,16-17H,3-4H2,1H3,(H,20,21)(H,22,23)(H,13,18,19);2,6,8-9,11,15,17-18H,3-4H2,1H3,(H,13,19,20)/t4*6-,8+,9?,11-/m1111/s1.

What are the key properties of methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate?

methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate has a molecular weight of 1971.79 g/mol, XLogP of -9.12, 34 rotatable bonds, 19 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate;methyl 2-[1-[(2R,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyethaneperoxoate is sourced from PubChem (CID 159135998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).