propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate

C30H35FN3O11P — CID 123207465

About propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate

propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate (PubChem CID 123207465) has the molecular formula C30H35FN3O11P and a molecular weight of 663.59 g/mol. Its IUPAC name is propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate
• PubChem CID: 123207465
• Molecular Formula: C30H35FN3O11P
• Molecular Weight: 663.59 g/mol
• Exact Mass: 663.20
• IUPAC Name: propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate
• SMILES: CC(C)OC(=O)CNP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccc2c(c1)OC(c1ccccc1)CC2O
• InChI: InChI=1S/C30H35FN3O11P/c1-17(2)42-26(37)15-32-46(40,41-16-24-27(38)30(3,31)28(44-24)34-12-11-25(36)33-29(34)39)45-19-9-10-20-21(35)14-22(43-23(20)13-19)18-7-5-4-6-8-18/h4-13,17,21-22,24,27-28,35,38H,14-16H2,1-3H3,(H,32,40)(H,33,36,39)
• InChIKey: LCXCGKAUVSOOMR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 187.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.59
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate?

The IUPAC name of propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate (CID 123207465) is propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate.

What is the SMILES notation for propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate?

The canonical SMILES for propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate is CC(C)OC(=O)CNP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccc2c(c1)OC(c1ccccc1)CC2O.

What is the InChIKey of propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate?

The InChIKey is LCXCGKAUVSOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN3O11P/c1-17(2)42-26(37)15-32-46(40,41-16-24-27(38)30(3,31)28(44-24)34-12-11-25(36)33-29(34)39)45-19-9-10-20-21(35)14-22(43-23(20)13-19)18-7-5-4-6-8-18/h4-13,17,21-22,24,27-28,35,38H,14-16H2,1-3H3,(H,32,40)(H,33,36,39).

What are the key properties of propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate?

propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate has a molecular weight of 663.59 g/mol, XLogP of 2.83, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-hydroxy-2-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]phosphoryl]amino]acetate is sourced from PubChem (CID 123207465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).