(8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide

C57H93NO13 — CID 165319436

About (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide

(8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide (PubChem CID 165319436) has the molecular formula C57H93NO13 and a molecular weight of 1000.36 g/mol. Its IUPAC name is (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide.

Molecular Properties

• Compound Name: (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide
• PubChem CID: 165319436
• Molecular Formula: C57H93NO13
• Molecular Weight: 1000.36 g/mol
• Exact Mass: 999.66
• IUPAC Name: (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCC
• InChI: InChI=1S/C57H93NO13/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-49(62)58-45(46(61)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)44-68-56-54(67)52(65)55(48(43-60)70-56)71-57-53(66)51(64)50(63)47(42-59)69-57/h5,7,11,13-14,16-17,19,21-22,24-25,27,29-30,32,38,40,45-48,50-57,59-61,63-67H,3-4,6,8-10,12,15,18,20,23,26,28,31,33-37,39,41-44H2,1-2H3,(H,58,62)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-,29-27-,32-30+,40-38+
• InChIKey: WYZCVTIEFBXDDP-LAVBSKIWSA-N
• XLogP: 7.71
• TPSA: 227.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 39
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1000.36
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

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 (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

The IUPAC name of (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide (CID 165319436) is (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide.

What is the SMILES notation for (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

The canonical SMILES for (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCC.

What is the InChIKey of (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

The InChIKey is WYZCVTIEFBXDDP-LAVBSKIWSA-N. The full InChI is InChI=1S/C57H93NO13/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-49(62)58-45(46(61)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)44-68-56-54(67)52(65)55(48(43-60)70-56)71-57-53(66)51(64)50(63)47(42-59)69-57/h5,7,11,13-14,16-17,19,21-22,24-25,27,29-30,32,38,40,45-48,50-57,59-61,63-67H,3-4,6,8-10,12,15,18,20,23,26,28,31,33-37,39,41-44H2,1-2H3,(H,58,62)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-,29-27-,32-30+,40-38+.

What are the key properties of (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

(8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide has a molecular weight of 1000.36 g/mol, XLogP of 7.71, 39 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide is sourced from PubChem (CID 165319436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).