[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium

C19H23FN4O8P+ — CID 134208592

About [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium (PubChem CID 134208592) has the molecular formula C19H23FN4O8P+ and a molecular weight of 485.39 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium
• PubChem CID: 134208592
• Molecular Formula: C19H23FN4O8P+
• Molecular Weight: 485.39 g/mol
• Exact Mass: 485.12
• IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium
• SMILES: CC(C(=O)O)N(Oc1ccccc1)[P+](=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1O
• InChI: InChI=1S/C19H22FN4O8P/c1-11(16(26)27)24(32-12-6-4-3-5-7-12)33(29)30-10-13-15(25)19(2,20)17(31-13)23-9-8-14(21)22-18(23)28/h3-9,11,13,15,17,25H,10H2,1-2H3,(H2-,21,22,26,27,28)/p+1/t11?,13-,15-,17-,19-/m1/s1
• InChIKey: FMWZJSDORFXBPU-PGRNDJKESA-O
• XLogP: 1.26
• TPSA: 166.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.39
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	3
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 [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium?

The IUPAC name of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium (CID 134208592) is [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium?

The canonical SMILES for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium is CC(C(=O)O)N(Oc1ccccc1)[P+](=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1O.

What is the InChIKey of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium?

The InChIKey is FMWZJSDORFXBPU-PGRNDJKESA-O. The full InChI is InChI=1S/C19H22FN4O8P/c1-11(16(26)27)24(32-12-6-4-3-5-7-12)33(29)30-10-13-15(25)19(2,20)17(31-13)23-9-8-14(21)22-18(23)28/h3-9,11,13,15,17,25H,10H2,1-2H3,(H2-,21,22,26,27,28)/p+1/t11?,13-,15-,17-,19-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium?

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium has a molecular weight of 485.39 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[1-carboxyethyl(phenoxy)amino]-oxophosphanium is sourced from PubChem (CID 134208592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).