propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate

C24H33FN3O9P — CID 159190393

About propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate

propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate (PubChem CID 159190393) has the molecular formula C24H33FN3O9P and a molecular weight of 557.51 g/mol. Its IUPAC name is propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
• PubChem CID: 159190393
• Molecular Formula: C24H33FN3O9P
• Molecular Weight: 557.51 g/mol
• Exact Mass: 557.19
• IUPAC Name: propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
• SMILES: CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)O[C@H](C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(N)(CF)[C@H]1O
• InChI: InChI=1S/C24H33FN3O9P/c1-14(2)34-21(31)15(3)12-38(33,37-17-8-6-5-7-9-17)36-16(4)19-20(30)24(26,13-25)22(35-19)28-11-10-18(29)27-23(28)32/h5-11,14-16,19-20,22,30H,12-13,26H2,1-4H3,(H,27,29,32)/t15-,16-,19-,20+,22-,24?,38-/m1/s1
• InChIKey: GDGPOXZNEIMDLR-ALVURQCZSA-N
• XLogP: 1.73
• TPSA: 172.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.51
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate?

The IUPAC name of propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate (CID 159190393) is propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate.

What is the SMILES notation for propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate?

The canonical SMILES for propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate is CC(C)OC(=O)[C@H](C)C[P@](=O)(Oc1ccccc1)O[C@H](C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(N)(CF)[C@H]1O.

What is the InChIKey of propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate?

The InChIKey is GDGPOXZNEIMDLR-ALVURQCZSA-N. The full InChI is InChI=1S/C24H33FN3O9P/c1-14(2)34-21(31)15(3)12-38(33,37-17-8-6-5-7-9-17)36-16(4)19-20(30)24(26,13-25)22(35-19)28-11-10-18(29)27-23(28)32/h5-11,14-16,19-20,22,30H,12-13,26H2,1-4H3,(H,27,29,32)/t15-,16-,19-,20+,22-,24?,38-/m1/s1.

What are the key properties of propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate?

propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate has a molecular weight of 557.51 g/mol, XLogP of 1.73, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-3-[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate is sourced from PubChem (CID 159190393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).