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

C72H93F6N6O27P3 — CID 160778800

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

propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate (PubChem CID 160778800) has the molecular formula C72H93F6N6O27P3 and a molecular weight of 1681.46 g/mol. Its IUPAC name is propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
• PubChem CID: 160778800
• Molecular Formula: C72H93F6N6O27P3
• Molecular Weight: 1681.46 g/mol
• Exact Mass: 1680.52
• IUPAC Name: propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate
• SMILES: CC(C)OC(=O)[C@H](C)CP(=O)(Oc1ccccc1)O[C@@H](C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(CF)[C@H]1O.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(F)(CF)[C@H]1O.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(F)(CF)[C@H]1O
• InChI: InChI=1S/3C24H31F2N2O9P/c3*1-14(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/h3*5-11,14-16,19-20,22,30H,12-13H2,1-4H3,(H,27,29,32)/t15-,16+,19-,20+,22-,24?,38?;15-,16+,19-,20+,22-,24?,38+;15-,16+,19-,20+,22-,24?,38-/m111/s1
• InChIKey: SAHLSFGKEZMXRJ-VRGPTKOHSA-N
• XLogP: 8.21
• TPSA: 438.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.46
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate (CID 160778800) is propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate.

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

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

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

The InChIKey is SAHLSFGKEZMXRJ-VRGPTKOHSA-N. The full InChI is InChI=1S/3C24H31F2N2O9P/c3*1-14(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/h3*5-11,14-16,19-20,22,30H,12-13H2,1-4H3,(H,27,29,32)/t15-,16+,19-,20+,22-,24?,38?;15-,16+,19-,20+,22-,24?,38+;15-,16+,19-,20+,22-,24?,38-/m111/s1.

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

propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate has a molecular weight of 1681.46 g/mol, XLogP of 8.21, 33 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(1S)-1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]-2-methylpropanoate is sourced from PubChem (CID 160778800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).