propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate

C24H28FN4O7P — CID 171568375

About propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate

propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate (PubChem CID 171568375) has the molecular formula C24H28FN4O7P and a molecular weight of 534.48 g/mol. Its IUPAC name is propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate
• PubChem CID: 171568375
• Molecular Formula: C24H28FN4O7P
• Molecular Weight: 534.48 g/mol
• Exact Mass: 534.17
• IUPAC Name: propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate
• SMILES: CC(C)OC(=O)CNP(=O)(OCC1CC(F)C(n2ccc(N)nc2=O)O1)Oc1ccc2ccccc2c1
• InChI: InChI=1S/C24H28FN4O7P/c1-15(2)34-22(30)13-27-37(32,36-18-8-7-16-5-3-4-6-17(16)11-18)33-14-19-12-20(25)23(35-19)29-10-9-21(26)28-24(29)31/h3-11,15,19-20,23H,12-14H2,1-2H3,(H,27,32)(H2,26,28,31)
• InChIKey: IETGJVJERPHAEQ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 144.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.48
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate?

The IUPAC name of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate (CID 171568375) is propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate.

What is the SMILES notation for propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate?

The canonical SMILES for propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate is CC(C)OC(=O)CNP(=O)(OCC1CC(F)C(n2ccc(N)nc2=O)O1)Oc1ccc2ccccc2c1.

What is the InChIKey of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate?

The InChIKey is IETGJVJERPHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN4O7P/c1-15(2)34-22(30)13-27-37(32,36-18-8-7-16-5-3-4-6-17(16)11-18)33-14-19-12-20(25)23(35-19)29-10-9-21(26)28-24(29)31/h3-11,15,19-20,23H,12-14H2,1-2H3,(H,27,32)(H2,26,28,31).

What are the key properties of propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate?

propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate has a molecular weight of 534.48 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]acetate is sourced from PubChem (CID 171568375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).