[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate

C27H35FN6O13P- — CID 177291486

About [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate

[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate (PubChem CID 177291486) has the molecular formula C27H35FN6O13P- and a molecular weight of 701.58 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate.

Molecular Properties

• Compound Name: [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate
• PubChem CID: 177291486
• Molecular Formula: C27H35FN6O13P-
• Molecular Weight: 701.58 g/mol
• Exact Mass: 701.20
• IUPAC Name: [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate
• SMILES: CO[C@@H]1[C@H](OP(=O)([O-])OC(C)C)[C@@H](c2nc(C[C@H]3[C@@H](F)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COC(C)C)no2)O[C@H]1n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C27H36FN6O13P/c1-12(2)42-11-15-14(19(28)24(43-15)33-8-6-17(35)30-26(33)37)10-16-29-23(45-32-16)21-20(47-48(39,40)46-13(3)4)22(41-5)25(44-21)34-9-7-18(36)31-27(34)38/h6-9,12-15,19-22,24-25H,10-11H2,1-5H3,(H,39,40)(H,30,35,37)(H,31,36,38)/p-1/t14-,15-,19-,20-,21+,22-,24-,25-/m1/s1
• InChIKey: GCWSQJHWYFHBRQ-KYYDNVLJSA-M
• XLogP: -0.15
• TPSA: 244.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.58
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate?

The IUPAC name of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate (CID 177291486) is [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate.

What is the SMILES notation for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate?

The canonical SMILES for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate is CO[C@@H]1[C@H](OP(=O)([O-])OC(C)C)[C@@H](c2nc(C[C@H]3[C@@H](F)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3COC(C)C)no2)O[C@H]1n1ccc(=O)[nH]c1=O.

What is the InChIKey of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate?

The InChIKey is GCWSQJHWYFHBRQ-KYYDNVLJSA-M. The full InChI is InChI=1S/C27H36FN6O13P/c1-12(2)42-11-15-14(19(28)24(43-15)33-8-6-17(35)30-26(33)37)10-16-29-23(45-32-16)21-20(47-48(39,40)46-13(3)4)22(41-5)25(44-21)34-9-7-18(36)31-27(34)38/h6-9,12-15,19-22,24-25H,10-11H2,1-5H3,(H,39,40)(H,30,35,37)(H,31,36,38)/p-1/t14-,15-,19-,20-,21+,22-,24-,25-/m1/s1.

What are the key properties of [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate?

[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate has a molecular weight of 701.58 g/mol, XLogP of -0.15, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[3-[[(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(propan-2-yloxymethyl)oxolan-3-yl]methyl]-1,2,4-oxadiazol-5-yl]-4-methoxyoxolan-3-yl] propan-2-yl phosphate is sourced from PubChem (CID 177291486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).