[(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate

C42H71O10P — CID 156967938

About [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate

[(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate (PubChem CID 156967938) has the molecular formula C42H71O10P and a molecular weight of 766.99 g/mol. Its IUPAC name is [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate.

Molecular Properties

• Compound Name: [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate
• PubChem CID: 156967938
• Molecular Formula: C42H71O10P
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.48
• IUPAC Name: [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
• InChI: InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-34-41(45)50-36-38(37-51-53(47,48)49)52-42(46)35-31-33-40(44)39(43)32-29-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,11-14,17-18,21,23,27,29,38-40,43-44H,3-5,7,9-10,15-16,19-20,22,24-26,28,30-37H2,1-2H3,(H2,47,48,49)/b8-6-,13-11-,14-12-,18-17-,23-21-,29-27-/t38-,39-,40-/m1/s1
• InChIKey: FXICFDGBEBLUJN-AMAIVQGFSA-N
• XLogP: 9.84
• TPSA: 159.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 35
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate?

The IUPAC name of [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate (CID 156967938) is [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate.

What is the SMILES notation for [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate?

The canonical SMILES for [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O.

What is the InChIKey of [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate?

The InChIKey is FXICFDGBEBLUJN-AMAIVQGFSA-N. The full InChI is InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-34-41(45)50-36-38(37-51-53(47,48)49)52-42(46)35-31-33-40(44)39(43)32-29-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,11-14,17-18,21,23,27,29,38-40,43-44H,3-5,7,9-10,15-16,19-20,22,24-26,28,30-37H2,1-2H3,(H2,47,48,49)/b8-6-,13-11-,14-12-,18-17-,23-21-,29-27-/t38-,39-,40-/m1/s1.

What are the key properties of [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate?

[(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate has a molecular weight of 766.99 g/mol, XLogP of 9.84, 35 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxy-3-phosphonooxypropan-2-yl] (5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate is sourced from PubChem (CID 156967938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).