disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate

C18H25N5Na2O21P4 — CID 141264210

About disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate

disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate (PubChem CID 141264210) has the molecular formula C18H25N5Na2O21P4 and a molecular weight of 817.29 g/mol. Its IUPAC name is disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

• Compound Name: disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate
• PubChem CID: 141264210
• Molecular Formula: C18H25N5Na2O21P4
• Molecular Weight: 817.29 g/mol
• Exact Mass: 816.98
• IUPAC Name: disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate
• SMILES: Nc1ccn([C@H]2C[C@H](O)C(COP(=O)(O)OP(=O)(OP(=O)([O-])[O-])OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+]
• InChI: InChI=1S/C18H27N5O21P4.2Na/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-46(33,34)43-48(37,42-45(30,31)32)44-47(35,36)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29;;/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,33,34)(H,35,36)(H2,19,20,28)(H,21,25,29)(H2,30,31,32);;/q;2*+1/p-2/t8-,9?,10+,13+,14+,15+,16+,48?;;/m0../s1
• InChIKey: SNSLYSXDPXXCEF-GYLZTHOGSA-L
• XLogP: -10.13
• TPSA: 395.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	817.29
LogP ≤ 5	-10.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate?

The IUPAC name of disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate (CID 141264210) is disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate.

What is the SMILES notation for disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate?

The canonical SMILES for disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate is Nc1ccn([C@H]2C[C@H](O)C(COP(=O)(O)OP(=O)(OP(=O)([O-])[O-])OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].

What is the InChIKey of disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate?

The InChIKey is SNSLYSXDPXXCEF-GYLZTHOGSA-L. The full InChI is InChI=1S/C18H27N5O21P4.2Na/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-46(33,34)43-48(37,42-45(30,31)32)44-47(35,36)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29;;/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,33,34)(H,35,36)(H2,19,20,28)(H,21,25,29)(H2,30,31,32);;/q;2*+1/p-2/t8-,9?,10+,13+,14+,15+,16+,48?;;/m0../s1.

What are the key properties of disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate?

disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate has a molecular weight of 817.29 g/mol, XLogP of -10.13, 14 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 141264210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).