1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C55H68N8O18P2S2 — CID 158281238

About 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 158281238) has the molecular formula C55H68N8O18P2S2 and a molecular weight of 1255.27 g/mol. Its IUPAC name is 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 158281238
• Molecular Formula: C55H68N8O18P2S2
• Molecular Weight: 1255.27 g/mol
• Exact Mass: 1254.36
• IUPAC Name: 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: CCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OP(=S)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OP(=S)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O)OCC1CCCN1C(=O)c1ccccc1)OCC1CCCN1C(=O)c1ccccc1
• InChI: InChI=1S/C55H68N8O18P2S2/c1-5-40-41(23-46(77-40)62-26-33(3)49(66)57-54(62)71)80-83(85,74-29-38-19-13-21-60(38)52(69)36-16-10-7-11-17-36)76-31-44-42(24-47(79-44)63-27-34(4)50(67)58-55(63)72)81-82(84,73-28-37-18-12-20-59(37)51(68)35-14-8-6-9-15-35)75-30-43-39(64)22-45(78-43)61-25-32(2)48(65)56-53(61)70/h6-11,14-17,25-27,37-47,64H,5,12-13,18-24,28-31H2,1-4H3,(H,56,65,70)(H,57,66,71)(H,58,67,72)
• InChIKey: NVQIRFIQCIVCMS-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 308.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.27
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 158281238) is 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is CCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OP(=S)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OP(=S)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O)OCC1CCCN1C(=O)c1ccccc1)OCC1CCCN1C(=O)c1ccccc1.

What is the InChIKey of 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is NVQIRFIQCIVCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H68N8O18P2S2/c1-5-40-41(23-46(77-40)62-26-33(3)49(66)57-54(62)71)80-83(85,74-29-38-19-13-21-60(38)52(69)36-16-10-7-11-17-36)76-31-44-42(24-47(79-44)63-27-34(4)50(67)58-55(63)72)81-82(84,73-28-37-18-12-20-59(37)51(68)35-14-8-6-9-15-35)75-30-43-39(64)22-45(78-43)61-25-32(2)48(65)56-53(61)70/h6-11,14-17,25-27,37-47,64H,5,12-13,18-24,28-31H2,1-4H3,(H,56,65,70)(H,57,66,71)(H,58,67,72).

What are the key properties of 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 1255.27 g/mol, XLogP of 4.09, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-[[(1-benzoylpyrrolidin-2-yl)methoxy-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 158281238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).