(2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium

C21H24Cl2FN3O9P+ — CID 87401656

About (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium

(2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium (PubChem CID 87401656) has the molecular formula C21H24Cl2FN3O9P+ and a molecular weight of 583.31 g/mol. Its IUPAC name is (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium.

Molecular Properties

• Compound Name: (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium
• PubChem CID: 87401656
• Molecular Formula: C21H24Cl2FN3O9P+
• Molecular Weight: 583.31 g/mol
• Exact Mass: 582.06
• IUPAC Name: (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium
• SMILES: CCOC(=O)C(C)N(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)[P+](=O)Oc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C21H23Cl2FN3O9P/c1-4-33-18(30)11(2)27(37(32)36-14-6-5-12(22)9-13(14)23)34-10-15-17(29)21(3,24)19(35-15)26-8-7-16(28)25-20(26)31/h5-9,11,15,17,19,29H,4,10H2,1-3H3/p+1/t11?,15-,17-,19-,21-/m1/s1
• InChIKey: NIIZVSCJVSQWHI-SGPNRKTOSA-O
• XLogP: 2.75
• TPSA: 149.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.31
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

The IUPAC name of (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium (CID 87401656) is (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium.

What is the SMILES notation for (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

The canonical SMILES for (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium is CCOC(=O)C(C)N(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)[P+](=O)Oc1ccc(Cl)cc1Cl.

What is the InChIKey of (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

The InChIKey is NIIZVSCJVSQWHI-SGPNRKTOSA-O. The full InChI is InChI=1S/C21H23Cl2FN3O9P/c1-4-33-18(30)11(2)27(37(32)36-14-6-5-12(22)9-13(14)23)34-10-15-17(29)21(3,24)19(35-15)26-8-7-16(28)25-20(26)31/h5-9,11,15,17,19,29H,4,10H2,1-3H3/p+1/t11?,15-,17-,19-,21-/m1/s1.

What are the key properties of (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

(2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium has a molecular weight of 583.31 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dichlorophenoxy)-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-(1-ethoxy-1-oxopropan-2-yl)amino]-oxophosphanium is sourced from PubChem (CID 87401656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).