[(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate

C43H69O10P — CID 156967326

About [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate

[(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate (PubChem CID 156967326) has the molecular formula C43H69O10P and a molecular weight of 776.99 g/mol. Its IUPAC name is [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate.

Molecular Properties

• Compound Name: [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate
• PubChem CID: 156967326
• Molecular Formula: C43H69O10P
• Molecular Weight: 776.99 g/mol
• Exact Mass: 776.46
• IUPAC Name: [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate
• SMILES: CC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C=C/CCCCCC
• InChI: InChI=1S/C43H69O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-30-36-43(47)53-41(38-52-54(48,49)50)37-51-42(46)35-29-21-19-18-20-26-32-40(45)34-28-24-23-27-33-39(44)31-25-6-4-2/h6,10-13,19-21,23-28,33-34,39-41,44-45H,3-5,7-9,14-18,22,29-32,35-38H2,1-2H3,(H2,48,49,50)/b11-10-,13-12-,21-19-,24-23-,25-6-,26-20-,33-27+,34-28+/t39-,40+,41-/m1/s1
• InChIKey: GMUOEVORJKMQDN-GCHPYXBGSA-N
• XLogP: 9.78
• TPSA: 159.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 34
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.99
LogP ≤ 5	9.78
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate?

The IUPAC name of [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate (CID 156967326) is [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate.

What is the SMILES notation for [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate?

The canonical SMILES for [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate is CC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C=C/CCCCCC.

What is the InChIKey of [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate?

The InChIKey is GMUOEVORJKMQDN-GCHPYXBGSA-N. The full InChI is InChI=1S/C43H69O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-30-36-43(47)53-41(38-52-54(48,49)50)37-51-42(46)35-29-21-19-18-20-26-32-40(45)34-28-24-23-27-33-39(44)31-25-6-4-2/h6,10-13,19-21,23-28,33-34,39-41,44-45H,3-5,7-9,14-18,22,29-32,35-38H2,1-2H3,(H2,48,49,50)/b11-10-,13-12-,21-19-,24-23-,25-6-,26-20-,33-27+,34-28+/t39-,40+,41-/m1/s1.

What are the key properties of [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate?

[(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate has a molecular weight of 776.99 g/mol, XLogP of 9.78, 34 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate is sourced from PubChem (CID 156967326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).