[[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide

C44H63Cl2N12O46P7 — CID 159663415

About [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide

[[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide (PubChem CID 159663415) has the molecular formula C44H63Cl2N12O46P7 and a molecular weight of 1783.75 g/mol. Its IUPAC name is [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide.

Molecular Properties

• Compound Name: [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide
• PubChem CID: 159663415
• Molecular Formula: C44H63Cl2N12O46P7
• Molecular Weight: 1783.75 g/mol
• Exact Mass: 1782.05
• IUPAC Name: [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide
• SMILES: NC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O.NC(=O)Cc1cn([C@@H]2O[C@H](COP(=O)(Cl)Cl)[C@H](O)C2O)c(=O)[nH]c1=O.NC(=O)Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)[nH]c1=O.NC(=O)Cc1cn([C@@H]2O[C@H](COP3(=O)OP(=O)(O)OP(=O)(O)O3)C(O)C2O)c(=O)[nH]c1=O
• InChI: InChI=1S/C11H14Cl2N3O8P.C11H18N3O16P3.C11H16N3O15P3.C11H15N3O7/c12-25(13,22)23-3-5-7(18)8(19)10(24-5)16-2-4(1-6(14)17)9(20)15-11(16)21;12-6(15)1-4-2-14(11(19)13-9(4)18)10-8(17)7(16)5(28-10)3-27-32(23,24)30-33(25,26)29-31(20,21)22;12-6(15)1-4-2-14(11(19)13-9(4)18)10-8(17)7(16)5(26-10)3-25-32(24)28-30(20,21)27-31(22,23)29-32;12-6(16)1-4-2-14(11(20)13-9(4)19)10-8(18)7(17)5(3-15)21-10/h2,5,7-8,10,18-19H,1,3H2,(H2,14,17)(H,15,20,21);2,5,7-8,10,16-17H,1,3H2,(H2,12,15)(H,23,24)(H,25,26)(H,13,18,19)(H2,20,21,22);2,5,7-8,10,16-17H,1,3H2,(H2,12,15)(H,20,21)(H,22,23)(H,13,18,19);2,5,7-8,10,15,17-18H,1,3H2,(H2,12,16)(H,13,19,20)/t2*5-,7+,8?,10-;5-,7?,8?,10-;5-,7+,8?,10-/m1111/s1
• InChIKey: MTCHOBZNOOSDDH-JDVJDPAZSA-N
• XLogP: -10.94
• TPSA: 925.50 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 44
• Rotatable Bonds: 26
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.75
LogP ≤ 5	-10.94
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide?

The IUPAC name of [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide (CID 159663415) is [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide.

What is the SMILES notation for [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide?

The canonical SMILES for [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide is NC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)[nH]c1=O.NC(=O)Cc1cn([C@@H]2O[C@H](COP(=O)(Cl)Cl)[C@H](O)C2O)c(=O)[nH]c1=O.NC(=O)Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)[nH]c1=O.NC(=O)Cc1cn([C@@H]2O[C@H](COP3(=O)OP(=O)(O)OP(=O)(O)O3)C(O)C2O)c(=O)[nH]c1=O.

What is the InChIKey of [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide?

The InChIKey is MTCHOBZNOOSDDH-JDVJDPAZSA-N. The full InChI is InChI=1S/C11H14Cl2N3O8P.C11H18N3O16P3.C11H16N3O15P3.C11H15N3O7/c12-25(13,22)23-3-5-7(18)8(19)10(24-5)16-2-4(1-6(14)17)9(20)15-11(16)21;12-6(15)1-4-2-14(11(19)13-9(4)18)10-8(17)7(16)5(28-10)3-27-32(23,24)30-33(25,26)29-31(20,21)22;12-6(15)1-4-2-14(11(19)13-9(4)18)10-8(17)7(16)5(26-10)3-25-32(24)28-30(20,21)27-31(22,23)29-32;12-6(16)1-4-2-14(11(20)13-9(4)19)10-8(18)7(17)5(3-15)21-10/h2,5,7-8,10,18-19H,1,3H2,(H2,14,17)(H,15,20,21);2,5,7-8,10,16-17H,1,3H2,(H2,12,15)(H,23,24)(H,25,26)(H,13,18,19)(H2,20,21,22);2,5,7-8,10,16-17H,1,3H2,(H2,12,15)(H,20,21)(H,22,23)(H,13,18,19);2,5,7-8,10,15,17-18H,1,3H2,(H2,12,16)(H,13,19,20)/t2*5-,7+,8?,10-;5-,7?,8?,10-;5-,7+,8?,10-/m1111/s1.

What are the key properties of [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide?

[[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide has a molecular weight of 1783.75 g/mol, XLogP of -10.94, 26 rotatable bonds, 23 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,3R,5R)-5-[5-(2-amino-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-[1-[(2R,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide;2-[1-[(2R,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]acetamide is sourced from PubChem (CID 159663415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).