[2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate

C19H27N3O19P4 — CID 21059449

About [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate

[2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate (PubChem CID 21059449) has the molecular formula C19H27N3O19P4 and a molecular weight of 725.32 g/mol. Its IUPAC name is [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate.

Molecular Properties

• Compound Name: [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate
• PubChem CID: 21059449
• Molecular Formula: C19H27N3O19P4
• Molecular Weight: 725.32 g/mol
• Exact Mass: 725.02
• IUPAC Name: [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate
• SMILES: CCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(=O)Nc2ccccc2)C1O
• InChI: InChI=1S/C19H27N3O19P4/c1-2-10-35-42(27,28)39-44(31,32)41-45(33,34)40-43(29,30)36-11-13-15(24)16(38-19(26)20-12-6-4-3-5-7-12)17(37-13)22-9-8-14(23)21-18(22)25/h3-9,13,15-17,24H,2,10-11H2,1H3,(H,20,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,21,23,25)
• InChIKey: URDWOMXJZNAXCX-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 318.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	725.32
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

The IUPAC name of [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate (CID 21059449) is [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate.

What is the SMILES notation for [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

The canonical SMILES for [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate is CCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(=O)Nc2ccccc2)C1O.

What is the InChIKey of [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

The InChIKey is URDWOMXJZNAXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O19P4/c1-2-10-35-42(27,28)39-44(31,32)41-45(33,34)40-43(29,30)36-11-13-15(24)16(38-19(26)20-12-6-4-3-5-7-12)17(37-13)22-9-8-14(23)21-18(22)25/h3-9,13,15-17,24H,2,10-11H2,1H3,(H,20,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,21,23,25).

What are the key properties of [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate?

[2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate has a molecular weight of 725.32 g/mol, XLogP of 1.31, 15 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] N-phenylcarbamate is sourced from PubChem (CID 21059449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).