propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate

C25H34FN4O10P — CID 134219060

About propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate

propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate (PubChem CID 134219060) has the molecular formula C25H34FN4O10P and a molecular weight of 600.54 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate
• PubChem CID: 134219060
• Molecular Formula: C25H34FN4O10P
• Molecular Weight: 600.54 g/mol
• Exact Mass: 600.20
• IUPAC Name: propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate
• SMILES: CC(C)OC(=O)[C@H](C)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
• InChI: InChI=1S/C25H34FN4O10P/c1-14(2)38-22(34)16(4)27-21(33)15(3)29-41(36,40-17-9-7-6-8-10-17)37-13-18-20(32)25(5,26)23(39-18)30-12-11-19(31)28-24(30)35/h6-12,14-16,18,20,23,32H,13H2,1-5H3,(H,27,33)(H,29,36)(H,28,31,35)/t15-,16-,18+,20+,23+,25+,41?/m0/s1
• InChIKey: MEKVCGANLGEELT-ZSLWOBKOSA-N
• XLogP: 1.16
• TPSA: 187.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.54
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	4
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)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate?

The IUPAC name of propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate (CID 134219060) is propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate.

What is the SMILES notation for propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate?

The canonical SMILES for propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate is CC(C)OC(=O)[C@H](C)NC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1.

What is the InChIKey of propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate?

The InChIKey is MEKVCGANLGEELT-ZSLWOBKOSA-N. The full InChI is InChI=1S/C25H34FN4O10P/c1-14(2)38-22(34)16(4)27-21(33)15(3)29-41(36,40-17-9-7-6-8-10-17)37-13-18-20(32)25(5,26)23(39-18)30-12-11-19(31)28-24(30)35/h6-12,14-16,18,20,23,32H,13H2,1-5H3,(H,27,33)(H,29,36)(H,28,31,35)/t15-,16-,18+,20+,23+,25+,41?/m0/s1.

What are the key properties of propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate?

propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate has a molecular weight of 600.54 g/mol, XLogP of 1.16, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-2-[[(2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoyl]amino]propanoate is sourced from PubChem (CID 134219060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).