[(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

C43H69O9P — CID 156968591

About [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate

[(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (PubChem CID 156968591) has the molecular formula C43H69O9P and a molecular weight of 760.99 g/mol. Its IUPAC name is [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate.

Molecular Properties

• Compound Name: [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
• PubChem CID: 156968591
• Molecular Formula: C43H69O9P
• Molecular Weight: 760.99 g/mol
• Exact Mass: 760.47
• IUPAC Name: [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\CC1OC1C/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C43H69O9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-31-35-42(44)49-37-39(38-50-53(46,47)48)51-43(45)36-32-28-27-30-34-41-40(52-41)33-29-25-23-21-12-10-8-6-4-2/h5,7,11-13,15-16,18-19,21,25,27,29-30,39-41H,3-4,6,8-10,14,17,20,22-24,26,28,31-38H2,1-2H3,(H2,46,47,48)/b7-5-,13-11-,16-15-,19-18-,21-12-,29-25-,30-27-/t39-,40?,41?/m1/s1
• InChIKey: OSYMRUDJCMTIJV-NSBFLFPLSA-N
• XLogP: 11.05
• TPSA: 131.89 Ų
• H-Bond Donors: 2
• 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	11.05
H-Bond Donors ≤ 5	2
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate?

The IUPAC name of [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (CID 156968591) is [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate.

What is the SMILES notation for [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate?

The canonical SMILES for [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\CC1OC1C/C=C\C/C=C\CCCCC.

What is the InChIKey of [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate?

The InChIKey is OSYMRUDJCMTIJV-NSBFLFPLSA-N. The full InChI is InChI=1S/C43H69O9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-31-35-42(44)49-37-39(38-50-53(46,47)48)51-43(45)36-32-28-27-30-34-41-40(52-41)33-29-25-23-21-12-10-8-6-4-2/h5,7,11-13,15-16,18-19,21,25,27,29-30,39-41H,3-4,6,8-10,14,17,20,22-24,26,28,31-38H2,1-2H3,(H2,46,47,48)/b7-5-,13-11-,16-15-,19-18-,21-12-,29-25-,30-27-/t39-,40?,41?/m1/s1.

What are the key properties of [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate?

[(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate has a molecular weight of 760.99 g/mol, XLogP of 11.05, 34 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-phosphonooxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate is sourced from PubChem (CID 156968591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).