[hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid

C11H18NO12P3 — CID 174040869

About [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid

[hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid (PubChem CID 174040869) has the molecular formula C11H18NO12P3 and a molecular weight of 449.18 g/mol. Its IUPAC name is [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid.

Molecular Properties

• Compound Name: [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid
• PubChem CID: 174040869
• Molecular Formula: C11H18NO12P3
• Molecular Weight: 449.18 g/mol
• Exact Mass: 449.00
• IUPAC Name: [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid
• SMILES: CC1=CC([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OPO)O2)C(=O)NC1=O
• InChI: InChI=1S/C11H18NO12P3/c1-5-2-6(11(15)12-10(5)14)8-3-7(13)9(22-8)4-21-26(17,18)24-27(19,20)23-25-16/h2,6-9,13,16,25H,3-4H2,1H3,(H,17,18)(H,19,20)(H,12,14,15)/t6?,7-,8-,9-/m1/s1
• InChIKey: JMSUDYHNOZSAIJ-FUZJYRNYSA-N
• XLogP: -0.52
• TPSA: 198.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.18
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid?

The IUPAC name of [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid (CID 174040869) is [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid.

What is the SMILES notation for [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid?

The canonical SMILES for [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid is CC1=CC([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OPO)O2)C(=O)NC1=O.

What is the InChIKey of [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid?

The InChIKey is JMSUDYHNOZSAIJ-FUZJYRNYSA-N. The full InChI is InChI=1S/C11H18NO12P3/c1-5-2-6(11(15)12-10(5)14)8-3-7(13)9(22-8)4-21-26(17,18)24-27(19,20)23-25-16/h2,6-9,13,16,25H,3-4H2,1H3,(H,17,18)(H,19,20)(H,12,14,15)/t6?,7-,8-,9-/m1/s1.

What are the key properties of [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid?

[hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid has a molecular weight of 449.18 g/mol, XLogP of -0.52, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [hydroxy-[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphinous acid is sourced from PubChem (CID 174040869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).