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

C63H113NO8 — CID 164505531

About (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadeca-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]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide (PubChem CID 164505531) has the molecular formula C63H113NO8 and a molecular weight of 1012.60 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]oxynonadeca-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]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide
• PubChem CID: 164505531
• Molecular Formula: C63H113NO8
• Molecular Weight: 1012.60 g/mol
• Exact Mass: 1011.85
• IUPAC Name: (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide
• SMILES: CCCCCC/C=C/CC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCC
• InChI: InChI=1S/C63H113NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-59(67)64-56(55-71-63-62(70)61(69)60(68)58(54-65)72-63)57(66)52-50-48-46-44-42-40-18-16-14-12-10-8-6-4-2/h14-17,20-21,23-24,42,44,50,52,56-58,60-63,65-66,68-70H,3-13,18-19,22,25-41,43,45-49,51,53-55H2,1-2H3,(H,64,67)/b16-14+,17-15-,21-20-,24-23-,44-42+,52-50+
• InChIKey: ZQEOKZFWZZVRDH-JIMKAXEKSA-N
• XLogP: 15.24
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 51
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.60
LogP ≤ 5	15.24
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]oxynonadeca-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]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide (CID 164505531) is (24Z,27Z,30Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadeca-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]oxynonadeca-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]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide is CCCCCC/C=C/CC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCC.

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

The InChIKey is ZQEOKZFWZZVRDH-JIMKAXEKSA-N. The full InChI is InChI=1S/C63H113NO8/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-59(67)64-56(55-71-63-62(70)61(69)60(68)58(54-65)72-63)57(66)52-50-48-46-44-42-40-18-16-14-12-10-8-6-4-2/h14-17,20-21,23-24,42,44,50,52,56-58,60-63,65-66,68-70H,3-13,18-19,22,25-41,43,45-49,51,53-55H2,1-2H3,(H,64,67)/b16-14+,17-15-,21-20-,24-23-,44-42+,52-50+.

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]oxynonadeca-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]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide has a molecular weight of 1012.60 g/mol, XLogP of 15.24, 51 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]oxynonadeca-4,8,12-trien-2-yl]octatriaconta-24,27,30-trienamide is sourced from PubChem (CID 164505531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).