propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate

C24H27FN3O8P — CID 171568455

About propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate

propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate (PubChem CID 171568455) has the molecular formula C24H27FN3O8P and a molecular weight of 535.47 g/mol. Its IUPAC name is propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate
• PubChem CID: 171568455
• Molecular Formula: C24H27FN3O8P
• Molecular Weight: 535.47 g/mol
• Exact Mass: 535.15
• IUPAC Name: propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate
• SMILES: CC(C)OC(=O)CNP(OCC1CC(O)C(n2cc(F)c(=O)[nH]c2=O)O1)Oc1ccc2ccccc2c1
• InChI: InChI=1S/C24H27FN3O8P/c1-14(2)34-21(30)11-26-37(36-17-8-7-15-5-3-4-6-16(15)9-17)33-13-18-10-20(29)23(35-18)28-12-19(25)22(31)27-24(28)32/h3-9,12,14,18,20,23,26,29H,10-11,13H2,1-2H3,(H,27,31,32)
• InChIKey: RRNBNOZWKHWXKB-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 141.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.47
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
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-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate?

The IUPAC name of propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate (CID 171568455) is propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate.

What is the SMILES notation for propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate?

The canonical SMILES for propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate is CC(C)OC(=O)CNP(OCC1CC(O)C(n2cc(F)c(=O)[nH]c2=O)O1)Oc1ccc2ccccc2c1.

What is the InChIKey of propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate?

The InChIKey is RRNBNOZWKHWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN3O8P/c1-14(2)34-21(30)11-26-37(36-17-8-7-15-5-3-4-6-16(15)9-17)33-13-18-10-20(29)23(35-18)28-12-19(25)22(31)27-24(28)32/h3-9,12,14,18,20,23,26,29H,10-11,13H2,1-2H3,(H,27,31,32).

What are the key properties of propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate?

propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate has a molecular weight of 535.47 g/mol, XLogP of 2.34, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate is sourced from PubChem (CID 171568455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).