[(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

C43H69O9P — CID 156968507

About [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

[(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate (PubChem CID 156968507) has the molecular formula C43H69O9P and a molecular weight of 760.99 g/mol. Its IUPAC name is [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate.

Molecular Properties

• Compound Name: [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate
• PubChem CID: 156968507
• Molecular Formula: C43H69O9P
• Molecular Weight: 760.99 g/mol
• Exact Mass: 760.47
• IUPAC Name: [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate
• SMILES: CCCCC/C=C\C=C/[C@H](O)C/C=C\C/C=C/CCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)O
• InChI: InChI=1S/C43H69O9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-42(45)50-38-41(39-51-53(47,48)49)52-43(46)37-33-29-25-21-23-27-31-35-40(44)34-30-26-22-10-8-6-4-2/h11-12,14-15,17-18,20-22,24-27,30-31,34,40-41,44H,3-10,13,16,19,23,28-29,32-33,35-39H2,1-2H3,(H2,47,48,49)/b12-11-,15-14-,18-17-,24-20-,25-21+,26-22-,31-27-,34-30-/t40-,41+/m0/s1
• InChIKey: BVNUZCVMAVENMX-SKAGHGCKSA-N
• XLogP: 10.81
• TPSA: 139.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 34
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.99
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate?

The IUPAC name of [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate (CID 156968507) is [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate.

What is the SMILES notation for [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate?

The canonical SMILES for [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate is CCCCC/C=C\C=C/[C@H](O)C/C=C\C/C=C/CCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)O.

What is the InChIKey of [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate?

The InChIKey is BVNUZCVMAVENMX-SKAGHGCKSA-N. The full InChI is InChI=1S/C43H69O9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-42(45)50-38-41(39-51-53(47,48)49)52-43(46)37-33-29-25-21-23-27-31-35-40(44)34-30-26-22-10-8-6-4-2/h11-12,14-15,17-18,20-22,24-27,30-31,34,40-41,44H,3-10,13,16,19,23,28-29,32-33,35-39H2,1-2H3,(H2,47,48,49)/b12-11-,15-14-,18-17-,24-20-,25-21+,26-22-,31-27-,34-30-/t40-,41+/m0/s1.

What are the key properties of [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate?

[(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate has a molecular weight of 760.99 g/mol, XLogP of 10.81, 34 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5E,8Z,11R,12Z,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate is sourced from PubChem (CID 156968507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).