propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate

C30H34FN4O10P — CID 123587279

About propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate

propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate (PubChem CID 123587279) has the molecular formula C30H34FN4O10P and a molecular weight of 660.59 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-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate
• PubChem CID: 123587279
• Molecular Formula: C30H34FN4O10P
• Molecular Weight: 660.59 g/mol
• Exact Mass: 660.20
• IUPAC Name: propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate
• SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1cccc2c(=O)n(C)c3ccccc3c12
• InChI: InChI=1S/C30H34FN4O10P/c1-16(2)43-27(39)17(3)33-46(41,42-15-22-25(37)30(4,31)28(44-22)35-14-13-23(36)32-29(35)40)45-21-12-8-10-19-24(21)18-9-6-7-11-20(18)34(5)26(19)38/h6-14,16-17,22,25,28,37H,15H2,1-5H3,(H,33,41)(H,32,36,40)
• InChIKey: PHBRXFJCVCKRKA-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 180.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.59
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate?

The IUPAC name of propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate (CID 123587279) is propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate.

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-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate?

The canonical SMILES for propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate is CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1cccc2c(=O)n(C)c3ccccc3c12.

What is the InChIKey of propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate?

The InChIKey is PHBRXFJCVCKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN4O10P/c1-16(2)43-27(39)17(3)33-46(41,42-15-22-25(37)30(4,31)28(44-22)35-14-13-23(36)32-29(35)40)45-21-12-8-10-19-24(21)18-9-6-7-11-20(18)34(5)26(19)38/h6-14,16-17,22,25,28,37H,15H2,1-5H3,(H,33,41)(H,32,36,40).

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-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate?

propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate has a molecular weight of 660.59 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 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-(5-methyl-6-oxophenanthridin-10-yl)oxyphosphoryl]amino]propanoate is sourced from PubChem (CID 123587279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).