[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate

C51H88O15P2 — CID 165251816

About [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate (PubChem CID 165251816) has the molecular formula C51H88O15P2 and a molecular weight of 1003.20 g/mol. Its IUPAC name is [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate.

Molecular Properties

• Compound Name: [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate
• PubChem CID: 165251816
• Molecular Formula: C51H88O15P2
• Molecular Weight: 1003.20 g/mol
• Exact Mass: 1002.56
• IUPAC Name: [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate
• SMILES: CC/C=C/C=C/C=C\C=C/C=C/CCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C51H88O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-51(56)62-42-48(53)44-64-68(59,60)66-46-49(54)45-65-67(57,58)63-43-47(52)41-61-50(55)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,10-14,16-19,25,27,29,47-49,52-54H,3-5,7,9,15,20-24,26,28,30-46H2,1-2H3,(H,57,58)(H,59,60)/b8-6+,12-10+,13-11-,16-14-,19-17-,25-18-,29-27+
• InChIKey: LWXWSSXQPAIWHZ-XVCBSMESSA-N
• XLogP: 11.72
• TPSA: 224.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 47
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.20
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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 [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate?

The IUPAC name of [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate (CID 165251816) is [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate.

What is the SMILES notation for [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate?

The canonical SMILES for [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate is CC/C=C/C=C/C=C\C=C/C=C/CCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\CCCCC.

What is the InChIKey of [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate?

The InChIKey is LWXWSSXQPAIWHZ-XVCBSMESSA-N. The full InChI is InChI=1S/C51H88O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-51(56)62-42-48(53)44-64-68(59,60)66-46-49(54)45-65-67(57,58)63-43-47(52)41-61-50(55)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,10-14,16-19,25,27,29,47-49,52-54H,3-5,7,9,15,20-24,26,28,30-46H2,1-2H3,(H,57,58)(H,59,60)/b8-6+,12-10+,13-11-,16-14-,19-17-,25-18-,29-27+.

What are the key properties of [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate?

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate has a molecular weight of 1003.20 g/mol, XLogP of 11.72, 47 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (15Z,18Z)-tetracosa-15,18-dienoate is sourced from PubChem (CID 165251816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).