(11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide

C56H103NO8 — CID 138260825

About (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide

(11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide (PubChem CID 138260825) has the molecular formula C56H103NO8 and a molecular weight of 918.44 g/mol. Its IUPAC name is (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide.

Molecular Properties

• Compound Name: (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide
• PubChem CID: 138260825
• Molecular Formula: C56H103NO8
• Molecular Weight: 918.44 g/mol
• Exact Mass: 917.77
• IUPAC Name: (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide
• SMILES: CCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCC
• InChI: InChI=1S/C56H103NO8/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-52(60)57-49(48-64-56-55(63)54(62)53(61)51(47-58)65-56)50(59)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28,35,37,43,45,49-51,53-56,58-59,61-63H,3-22,25,27,29-34,36,38-42,44,46-48H2,1-2H3,(H,57,60)/b24-23-,28-26-,37-35+,45-43+
• InChIKey: SHWAUQNSVUMYQA-VUCAEOEVSA-N
• XLogP: 12.96
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 46
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	918.44
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	6
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'}

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide?

The IUPAC name of (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide (CID 138260825) is (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide.

What is the SMILES notation for (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide?

The canonical SMILES for (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide is CCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCC.

What is the InChIKey of (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide?

The InChIKey is SHWAUQNSVUMYQA-VUCAEOEVSA-N. The full InChI is InChI=1S/C56H103NO8/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-52(60)57-49(48-64-56-55(63)54(62)53(61)51(47-58)65-56)50(59)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28,35,37,43,45,49-51,53-56,58-59,61-63H,3-22,25,27,29-34,36,38-42,44,46-48H2,1-2H3,(H,57,60)/b24-23-,28-26-,37-35+,45-43+.

What are the key properties of (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide?

(11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide has a molecular weight of 918.44 g/mol, XLogP of 12.96, 46 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (11Z,14Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-4,8-dien-2-yl]hexacosa-11,14-dienamide is sourced from PubChem (CID 138260825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).