(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide

C78H127NO8 — CID 164509935

About (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide

(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide (PubChem CID 164509935) has the molecular formula C78H127NO8 and a molecular weight of 1206.87 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide.

Molecular Properties

• Compound Name: (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide
• PubChem CID: 164509935
• Molecular Formula: C78H127NO8
• Molecular Weight: 1206.87 g/mol
• Exact Mass: 1205.96
• IUPAC Name: (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide
• 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\C/C=C\C/C=C\C/C=C\CCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C78H127NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-74(82)79-71(70-86-78-77(85)76(84)75(83)73(69-80)87-78)72(81)67-65-63-61-59-57-55-53-51-49-47-45-43-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29-30,32-33,35-36,38-39,41-42,46,48,52,54,57-60,65,67,71-73,75-78,80-81,83-85H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,31,34,37,40,43-45,47,49-51,53,55-56,61-64,66,68-70H2,1-2H3,(H,79,82)/b7-5-,13-11-,19-17-,25-23-,30-29-,33-32-,36-35-,39-38-,42-41-,48-46-,54-52-,59-57+,60-58-,67-65+
• InChIKey: ZYUKGPFOPRUAGH-JLRILSMASA-N
• XLogP: 19.30
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 58
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1206.87
LogP ≤ 5	19.30
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 (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

The IUPAC name of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide (CID 164509935) is (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide.

What is the SMILES notation for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

The canonical SMILES for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide 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\C/C=C\C/C=C\C/C=C\CCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

The InChIKey is ZYUKGPFOPRUAGH-JLRILSMASA-N. The full InChI is InChI=1S/C78H127NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-74(82)79-71(70-86-78-77(85)76(84)75(83)73(69-80)87-78)72(81)67-65-63-61-59-57-55-53-51-49-47-45-43-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29-30,32-33,35-36,38-39,41-42,46,48,52,54,57-60,65,67,71-73,75-78,80-81,83-85H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,31,34,37,40,43-45,47,49-51,53,55-56,61-64,66,68-70H2,1-2H3,(H,79,82)/b7-5-,13-11-,19-17-,25-23-,30-29-,33-32-,36-35-,39-38-,42-41-,48-46-,54-52-,59-57+,60-58-,67-65+.

What are the key properties of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide has a molecular weight of 1206.87 g/mol, XLogP of 19.30, 58 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,8-dien-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide is sourced from PubChem (CID 164509935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).