(24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide

C66H119NO8 — CID 164501933

About (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide

(24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide (PubChem CID 164501933) has the molecular formula C66H119NO8 and a molecular weight of 1054.68 g/mol. Its IUPAC name is (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide.

Molecular Properties

• Compound Name: (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide
• PubChem CID: 164501933
• Molecular Formula: C66H119NO8
• Molecular Weight: 1054.68 g/mol
• Exact Mass: 1053.89
• IUPAC Name: (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide
• SMILES: CCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCC
• InChI: InChI=1S/C66H119NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-62(70)67-59(58-74-66-65(73)64(72)63(71)61(57-68)75-66)60(69)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2/h15,17,20-22,24-25,39,45,47,53,55,59-61,63-66,68-69,71-73H,3-14,16,18-19,23,26-38,40-44,46,48-52,54,56-58H2,1-2H3,(H,67,70)/b17-15-,22-21-,25-24-,39-20+,47-45+,55-53+
• InChIKey: ZJBZHLDHJAMXRN-HNWFVFJMSA-N
• XLogP: 16.41
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 54
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.68
LogP ≤ 5	16.41
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 (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide?

The IUPAC name of (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide (CID 164501933) is (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide.

What is the SMILES notation for (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide?

The canonical SMILES for (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide is CCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCC.

What is the InChIKey of (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide?

The InChIKey is ZJBZHLDHJAMXRN-HNWFVFJMSA-N. The full InChI is InChI=1S/C66H119NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-62(70)67-59(58-74-66-65(73)64(72)63(71)61(57-68)75-66)60(69)55-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2/h15,17,20-22,24-25,39,45,47,53,55,59-61,63-66,68-69,71-73H,3-14,16,18-19,23,26-38,40-44,46,48-52,54,56-58H2,1-2H3,(H,67,70)/b17-15-,22-21-,25-24-,39-20+,47-45+,55-53+.

What are the key properties of (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide?

(24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide has a molecular weight of 1054.68 g/mol, XLogP of 16.41, 54 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide is sourced from PubChem (CID 164501933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).