[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate

C82H160O17P2 — CID 156920653

About [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate

[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate (PubChem CID 156920653) has the molecular formula C82H160O17P2 and a molecular weight of 1480.11 g/mol. Its IUPAC name is [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate.

Molecular Properties

• Compound Name: [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate
• PubChem CID: 156920653
• Molecular Formula: C82H160O17P2
• Molecular Weight: 1480.11 g/mol
• Exact Mass: 1479.11
• IUPAC Name: [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC
• InChI: InChI=1S/C82H160O17P2/c1-7-11-13-15-17-19-20-21-22-23-24-25-26-27-28-33-36-42-48-54-60-66-81(86)99-78(71-93-80(85)65-59-53-47-41-35-32-30-29-31-34-39-44-50-56-62-74(5)9-3)73-97-101(90,91)95-69-76(83)68-94-100(88,89)96-72-77(70-92-79(84)64-58-52-46-18-16-14-12-8-2)98-82(87)67-61-55-49-43-38-37-40-45-51-57-63-75(6)10-4/h74-78,83H,7-73H2,1-6H3,(H,88,89)(H,90,91)/t74?,75?,76-,77+,78+/m0/s1
• InChIKey: BCEARRHUTAWVBA-XRJGDMPQSA-N
• XLogP: 24.67
• TPSA: 236.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 81
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.11
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate?

The IUPAC name of [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate (CID 156920653) is [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate.

What is the SMILES notation for [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate?

The canonical SMILES for [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate is CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC.

What is the InChIKey of [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate?

The InChIKey is BCEARRHUTAWVBA-XRJGDMPQSA-N. The full InChI is InChI=1S/C82H160O17P2/c1-7-11-13-15-17-19-20-21-22-23-24-25-26-27-28-33-36-42-48-54-60-66-81(86)99-78(71-93-80(85)65-59-53-47-41-35-32-30-29-31-34-39-44-50-56-62-74(5)9-3)73-97-101(90,91)95-69-76(83)68-94-100(88,89)96-72-77(70-92-79(84)64-58-52-46-18-16-14-12-8-2)98-82(87)67-61-55-49-43-38-37-40-45-51-57-63-75(6)10-4/h74-78,83H,7-73H2,1-6H3,(H,88,89)(H,90,91)/t74?,75?,76-,77+,78+/m0/s1.

What are the key properties of [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate?

[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate has a molecular weight of 1480.11 g/mol, XLogP of 24.67, 81 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(14-methylhexadecanoyloxy)-3-undecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(18-methylicosanoyloxy)propan-2-yl] tetracosanoate is sourced from PubChem (CID 156920653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).