(10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide

C66H113NO18 — CID 165336144

About (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide

(10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide (PubChem CID 165336144) has the molecular formula C66H113NO18 and a molecular weight of 1208.62 g/mol. Its IUPAC name is (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide.

Molecular Properties

• Compound Name: (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide
• PubChem CID: 165336144
• Molecular Formula: C66H113NO18
• Molecular Weight: 1208.62 g/mol
• Exact Mass: 1207.80
• IUPAC Name: (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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/CCCCCCCCCCCCC
• InChI: InChI=1S/C66H113NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(71)49(67-54(72)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2)48-80-64-60(78)57(75)62(52(46-69)82-64)85-66-61(79)58(76)63(53(47-70)83-66)84-65-59(77)56(74)55(73)51(45-68)81-65/h6,8,12,14,18,20,25-28,33,35,41,43,49-53,55-66,68-71,73-79H,3-5,7,9-11,13,15-17,19,21-24,29-32,34,36-40,42,44-48H2,1-2H3,(H,67,72)/b8-6-,14-12-,20-18-,27-26+,28-25-,35-33+,43-41+
• InChIKey: ZNNSUBBFMUMPFZ-XYWQPUKTSA-N
• XLogP: 7.15
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 47
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1208.62
LogP ≤ 5	7.15
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 (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide?

The IUPAC name of (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide (CID 165336144) is (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide.

What is the SMILES notation for (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide?

The canonical SMILES for (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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/CCCCCCCCCCCCC.

What is the InChIKey of (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide?

The InChIKey is ZNNSUBBFMUMPFZ-XYWQPUKTSA-N. The full InChI is InChI=1S/C66H113NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(71)49(67-54(72)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2)48-80-64-60(78)57(75)62(52(46-69)82-64)85-66-61(79)58(76)63(53(47-70)83-66)84-65-59(77)56(74)55(73)51(45-68)81-65/h6,8,12,14,18,20,25-28,33,35,41,43,49-53,55-66,68-71,73-79H,3-5,7,9-11,13,15-17,19,21-24,29-32,34,36-40,42,44-48H2,1-2H3,(H,67,72)/b8-6-,14-12-,20-18-,27-26+,28-25-,35-33+,43-41+.

What are the key properties of (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide?

(10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide has a molecular weight of 1208.62 g/mol, XLogP of 7.15, 47 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,13Z,16Z,19Z)-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-hydroxyhexacosa-4,8,12-trien-2-yl]docosa-10,13,16,19-tetraenamide is sourced from PubChem (CID 165336144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).