[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium

C19H22F2N4O18P4+4 — CID 10153673

About [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium

[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium (PubChem CID 10153673) has the molecular formula C19H22F2N4O18P4+4 and a molecular weight of 756.29 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium.

Molecular Properties

• Compound Name: [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium
• PubChem CID: 10153673
• Molecular Formula: C19H22F2N4O18P4+4
• Molecular Weight: 756.29 g/mol
• Exact Mass: 755.98
• IUPAC Name: [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium
• SMILES: O=c1ccn([C@@H]2O[C@H](CO[P+](=O)O[P+](=O)C(F)(F)[P+](=O)O[P+](=O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
• InChI: InChI=1S/C19H20F2N4O18P4/c20-19(21,44(34)42-46(36)38-5-7-11(28)13(30)15(40-7)24-3-1-9(26)22-17(24)32)45(35)43-47(37)39-6-8-12(29)14(31)16(41-8)25-4-2-10(27)23-18(25)33/h1-4,7-8,11-16,28-31H,5-6H2/q+2/p+2/t7-,8+,11-,12+,13-,14+,15-,16+
• InChIKey: AOBQSGYFLSTKQO-WWMDGMSNSA-P
• XLogP: -1.26
• TPSA: 314.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	756.29
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium?

The IUPAC name of [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium (CID 10153673) is [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium.

What is the SMILES notation for [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium?

The canonical SMILES for [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium is O=c1ccn([C@@H]2O[C@H](CO[P+](=O)O[P+](=O)C(F)(F)[P+](=O)O[P+](=O)OC[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.

What is the InChIKey of [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium?

The InChIKey is AOBQSGYFLSTKQO-WWMDGMSNSA-P. The full InChI is InChI=1S/C19H20F2N4O18P4/c20-19(21,44(34)42-46(36)38-5-7-11(28)13(30)15(40-7)24-3-1-9(26)22-17(24)32)45(35)43-47(37)39-6-8-12(29)14(31)16(41-8)25-4-2-10(27)23-18(25)33/h1-4,7-8,11-16,28-31H,5-6H2/q+2/p+2/t7-,8+,11-,12+,13-,14+,15-,16+.

What are the key properties of [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium?

[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium has a molecular weight of 756.29 g/mol, XLogP of -1.26, 14 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium is sourced from PubChem (CID 10153673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).