(1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate

C61H102O5 — CID 164503948

About (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate

(1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate (PubChem CID 164503948) has the molecular formula C61H102O5 and a molecular weight of 915.48 g/mol. Its IUPAC name is (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate.

Molecular Properties

• Compound Name: (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate
• PubChem CID: 164503948
• Molecular Formula: C61H102O5
• Molecular Weight: 915.48 g/mol
• Exact Mass: 914.77
• IUPAC Name: (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C61H102O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-61(64)66-59(57-62)58-65-60(63)55-53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,27-28,30-31,33-34,38,40,44,46,59,62H,3-4,6,8-10,12,14-16,18,20-22,24,26,29,32,35-37,39,41-43,45,47-58H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,28-27-,31-30-,34-33-,40-38-,46-44-
• InChIKey: ZNCWNXIBLMAHCJ-YCAJNCODSA-N
• XLogP: 18.52
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 49
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.48
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate?

The IUPAC name of (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate (CID 164503948) is (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate.

What is the SMILES notation for (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate?

The canonical SMILES for (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate?

The InChIKey is ZNCWNXIBLMAHCJ-YCAJNCODSA-N. The full InChI is InChI=1S/C61H102O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-61(64)66-59(57-62)58-65-60(63)55-53-51-49-47-45-43-41-39-37-35-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,27-28,30-31,33-34,38,40,44,46,59,62H,3-4,6,8-10,12,14-16,18,20-22,24,26,29,32,35-37,39,41-43,45,47-58H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,28-27-,31-30-,34-33-,40-38-,46-44-.

What are the key properties of (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate?

(1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate has a molecular weight of 915.48 g/mol, XLogP of 18.52, 49 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-hydroxy-3-tetracosanoyloxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z)-tetratriaconta-7,10,13,16,19,22,25,28,31-nonaenoate is sourced from PubChem (CID 164503948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).