(11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide

C86H139NO18 — CID 165268079

About (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide

(11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide (PubChem CID 165268079) has the molecular formula C86H139NO18 and a molecular weight of 1475.05 g/mol. Its IUPAC name is (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide.

Molecular Properties

• Compound Name: (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide
• PubChem CID: 165268079
• Molecular Formula: C86H139NO18
• Molecular Weight: 1475.05 g/mol
• Exact Mass: 1474.00
• IUPAC Name: (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide
• 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\CCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCCCC
• InChI: InChI=1S/C86H139NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-54-56-58-60-62-64-74(92)87-69(70(91)63-61-59-57-55-53-51-49-47-45-22-20-18-16-14-12-10-8-6-4-2)68-100-84-80(98)77(95)82(72(66-89)102-84)105-86-81(99)78(96)83(73(67-90)103-86)104-85-79(97)76(94)75(93)71(65-88)101-85/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,38-39,41-42,44-47,53,55,61,63,69-73,75-86,88-91,93-99H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37,40,43,48-52,54,56-60,62,64-68H2,1-2H3,(H,87,92)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,42-41-,46-44-,47-45+,55-53+,63-61+
• InChIKey: OJOUIFYALUHSCZ-YVBQZRPRSA-N
• XLogP: 13.39
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 60
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.05
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

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,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide?

The IUPAC name of (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide (CID 165268079) is (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide.

What is the SMILES notation for (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide?

The canonical SMILES for (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide 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\CCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCCCC.

What is the InChIKey of (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide?

The InChIKey is OJOUIFYALUHSCZ-YVBQZRPRSA-N. The full InChI is InChI=1S/C86H139NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-54-56-58-60-62-64-74(92)87-69(70(91)63-61-59-57-55-53-51-49-47-45-22-20-18-16-14-12-10-8-6-4-2)68-100-84-80(98)77(95)82(72(66-89)102-84)105-86-81(99)78(96)83(73(67-90)103-86)104-85-79(97)76(94)75(93)71(65-88)101-85/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,38-39,41-42,44-47,53,55,61,63,69-73,75-86,88-91,93-99H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37,40,43,48-52,54,56-60,62,64-68H2,1-2H3,(H,87,92)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,42-41-,46-44-,47-45+,55-53+,63-61+.

What are the key properties of (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide?

(11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide has a molecular weight of 1475.05 g/mol, XLogP of 13.39, 60 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetracosa-4,8,12-trien-2-yl]tetratetraconta-11,14,17,20,23,26,29,32,35,38,41-undecaenamide is sourced from PubChem (CID 165268079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).