6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione

C79H158N2O19P4S — CID 162050674

About 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione

6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 162050674) has the molecular formula C79H158N2O19P4S and a molecular weight of 1596.09 g/mol. Its IUPAC name is 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 162050674
• Molecular Formula: C79H158N2O19P4S
• Molecular Weight: 1596.09 g/mol
• Exact Mass: 1595.01
• IUPAC Name: 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
• SMILES: C=P(O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OCC1OCCC1OP(=C)(O)OCCCCCCN.C=P(O)(OCCCCCCSC1CC(=O)N(CCOCCOCCOC)C1=O)OCC1OCCC1OP(=C)(O)OC
• InChI: InChI=1S/C54H111NO7P2.C25H47NO12P2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-45-49-59-63(2,56)61-52-54-53(47-51-58-54)62-64(3,57)60-50-46-43-41-44-48-55;1-31-14-15-34-17-16-33-13-10-26-24(27)19-23(25(26)28)41-18-8-6-5-7-11-36-40(4,30)37-20-22-21(9-12-35-22)38-39(3,29)32-2/h53-54,56-57H,2-52,55H2,1H3;21-23,29-30H,3-20H2,1-2H3
• InChIKey: YYMTZYMKOMXRLN-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 264.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 77
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.09
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione (CID 162050674) is 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione is C=P(O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OCC1OCCC1OP(=C)(O)OCCCCCCN.C=P(O)(OCCCCCCSC1CC(=O)N(CCOCCOCCOC)C1=O)OCC1OCCC1OP(=C)(O)OC.

What is the InChIKey of 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?

The InChIKey is YYMTZYMKOMXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H111NO7P2.C25H47NO12P2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-45-49-59-63(2,56)61-52-54-53(47-51-58-54)62-64(3,57)60-50-46-43-41-44-48-55;1-31-14-15-34-17-16-33-13-10-26-24(27)19-23(25(26)28)41-18-8-6-5-7-11-36-40(4,30)37-20-22-21(9-12-35-22)38-39(3,29)32-2/h53-54,56-57H,2-52,55H2,1H3;21-23,29-30H,3-20H2,1-2H3.

What are the key properties of 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?

6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 1596.09 g/mol, XLogP of 19.65, 77 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(hentetracontoxy-hydroxy-methylidene-λ5-phosphanyl)oxymethyl]oxolan-3-yl]oxy-hydroxy-methylidene-λ5-phosphanyl]oxyhexan-1-amine;3-[6-[hydroxy-[[3-(hydroxy-methoxy-methylidene-λ5-phosphanyl)oxyoxolan-2-yl]methoxy]-methylidene-λ5-phosphanyl]oxyhexylsulfanyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 162050674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).