[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate

C43H74NO8P — CID 156988776

About [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate (PubChem CID 156988776) has the molecular formula C43H74NO8P and a molecular weight of 764.04 g/mol. Its IUPAC name is [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate.

Molecular Properties

• Compound Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
• PubChem CID: 156988776
• Molecular Formula: C43H74NO8P
• Molecular Weight: 764.04 g/mol
• Exact Mass: 763.52
• IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O[C@H](CO/C=C/CCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN
• InChI: InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-37-49-39-42(40-51-53(47,48)50-38-36-44)52-43(46)35-32-34-41(45)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h12-15,20,22,26,28,30-31,33,37,42H,3-11,16-19,21,23-25,27,29,32,34-36,38-40,44H2,1-2H3,(H,47,48)/b14-12-,15-13-,22-20-,28-26-,33-30+,37-31+/t42-/m1/s1
• InChIKey: SLJDINZGPLCWGQ-IHVYCOHXSA-N
• XLogP: 11.49
• TPSA: 134.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 38
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.04
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?

The IUPAC name of [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate (CID 156988776) is [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate.

What is the SMILES notation for [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?

The canonical SMILES for [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O[C@H](CO/C=C/CCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN.

What is the InChIKey of [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?

The InChIKey is SLJDINZGPLCWGQ-IHVYCOHXSA-N. The full InChI is InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-37-49-39-42(40-51-53(47,48)50-38-36-44)52-43(46)35-32-34-41(45)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h12-15,20,22,26,28,30-31,33,37,42H,3-11,16-19,21,23-25,27,29,32,34-36,38-40,44H2,1-2H3,(H,47,48)/b14-12-,15-13-,22-20-,28-26-,33-30+,37-31+/t42-/m1/s1.

What are the key properties of [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate?

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate has a molecular weight of 764.04 g/mol, XLogP of 11.49, 38 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propan-2-yl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate is sourced from PubChem (CID 156988776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).