1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione

C25H44FN2O9P — CID 160906580

About 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione

1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione (PubChem CID 160906580) has the molecular formula C25H44FN2O9P and a molecular weight of 567.61 g/mol. Its IUPAC name is 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione
• PubChem CID: 160906580
• Molecular Formula: C25H44FN2O9P
• Molecular Weight: 567.61 g/mol
• Exact Mass: 567.28
• IUPAC Name: 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione
• SMILES: [2H]CC1OC(N2C=CC(=O)CC2=O)C(F)C1OP(OCCOCCOCCOCCOC)N(C(C)C)C(C)C
• InChI: InChI=1S/C25H44FN2O9P/c1-18(2)28(19(3)4)38(35-16-15-34-14-13-33-12-11-32-10-9-31-6)37-24-20(5)36-25(23(24)26)27-8-7-21(29)17-22(27)30/h7-8,18-20,23-25H,9-17H2,1-6H3/i5D
• InChIKey: CJEWUBCQTDVGDZ-UICOGKGYSA-N
• XLogP: 2.83
• TPSA: 105.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.61
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione?

The IUPAC name of 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione (CID 160906580) is 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione.

What is the SMILES notation for 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione?

The canonical SMILES for 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione is [2H]CC1OC(N2C=CC(=O)CC2=O)C(F)C1OP(OCCOCCOCCOCCOC)N(C(C)C)C(C)C.

What is the InChIKey of 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione?

The InChIKey is CJEWUBCQTDVGDZ-UICOGKGYSA-N. The full InChI is InChI=1S/C25H44FN2O9P/c1-18(2)28(19(3)4)38(35-16-15-34-14-13-33-12-11-32-10-9-31-6)37-24-20(5)36-25(23(24)26)27-8-7-21(29)17-22(27)30/h7-8,18-20,23-25H,9-17H2,1-6H3/i5D.

What are the key properties of 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione?

1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione has a molecular weight of 567.61 g/mol, XLogP of 2.83, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyridine-2,4-dione is sourced from PubChem (CID 160906580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).