methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate

C24H37N4O7P — CID 144836318

About methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate

methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate (PubChem CID 144836318) has the molecular formula C24H37N4O7P and a molecular weight of 524.56 g/mol. Its IUPAC name is methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate.

Molecular Properties

• Compound Name: methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
• PubChem CID: 144836318
• Molecular Formula: C24H37N4O7P
• Molecular Weight: 524.56 g/mol
• Exact Mass: 524.24
• IUPAC Name: methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
• SMILES: CC[C@@]1(COP(NC(C)C(=O)OC(C)C)Oc2ccccc2)CCC(n2ccc(N)nc2=O)O1.CO
• InChI: InChI=1S/C23H33N4O6P.CH4O/c1-5-23(13-11-20(32-23)27-14-12-19(24)25-22(27)29)15-30-34(33-18-9-7-6-8-10-18)26-17(4)21(28)31-16(2)3;1-2/h6-10,12,14,16-17,20,26H,5,11,13,15H2,1-4H3,(H2,24,25,29);2H,1H3/t17?,20?,23-,34?;/m0./s1
• InChIKey: PVLAMKUHMNIHJS-NIGAPBTESA-N
• XLogP: 3.14
• TPSA: 147.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.56
LogP ≤ 5	3.14
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 methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?

The IUPAC name of methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate (CID 144836318) is methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate.

What is the SMILES notation for methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?

The canonical SMILES for methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate is CC[C@@]1(COP(NC(C)C(=O)OC(C)C)Oc2ccccc2)CCC(n2ccc(N)nc2=O)O1.CO.

What is the InChIKey of methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?

The InChIKey is PVLAMKUHMNIHJS-NIGAPBTESA-N. The full InChI is InChI=1S/C23H33N4O6P.CH4O/c1-5-23(13-11-20(32-23)27-14-12-19(24)25-22(27)29)15-30-34(33-18-9-7-6-8-10-18)26-17(4)21(28)31-16(2)3;1-2/h6-10,12,14,16-17,20,26H,5,11,13,15H2,1-4H3,(H2,24,25,29);2H,1H3/t17?,20?,23-,34?;/m0./s1.

What are the key properties of methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate?

methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate has a molecular weight of 524.56 g/mol, XLogP of 3.14, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;propan-2-yl 2-[[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate is sourced from PubChem (CID 144836318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).