(10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide

C61H105NO18 — CID 165211944

About (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide

(10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide (PubChem CID 165211944) has the molecular formula C61H105NO18 and a molecular weight of 1140.50 g/mol. Its IUPAC name is (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide.

Molecular Properties

• Compound Name: (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide
• PubChem CID: 165211944
• Molecular Formula: C61H105NO18
• Molecular Weight: 1140.50 g/mol
• Exact Mass: 1139.73
• IUPAC Name: (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-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/CCCCCCCCCCCC
• InChI: InChI=1S/C61H105NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-49(67)62-44(45(66)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2)43-75-59-55(73)52(70)57(47(41-64)77-59)80-61-56(74)53(71)58(48(42-65)78-61)79-60-54(72)51(69)50(68)46(40-63)76-60/h5,7,11,13,17,19,22-23,28,30,36,38,44-48,50-61,63-66,68-74H,3-4,6,8-10,12,14-16,18,20-21,24-27,29,31-35,37,39-43H2,1-2H3,(H,62,67)/b7-5-,13-11-,19-17-,23-22-,30-28+,38-36+
• InChIKey: FULDBMFFZCQDDF-CNYJZWDCSA-N
• XLogP: 5.43
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 43
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1140.50
LogP ≤ 5	5.43
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)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide?

The IUPAC name of (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide (CID 165211944) is (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide.

What is the SMILES notation for (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide?

The canonical SMILES for (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-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/CCCCCCCCCCCC.

What is the InChIKey of (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide?

The InChIKey is FULDBMFFZCQDDF-CNYJZWDCSA-N. The full InChI is InChI=1S/C61H105NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-49(67)62-44(45(66)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2)43-75-59-55(73)52(70)57(47(41-64)77-59)80-61-56(74)53(71)58(48(42-65)78-61)79-60-54(72)51(69)50(68)46(40-63)76-60/h5,7,11,13,17,19,22-23,28,30,36,38,44-48,50-61,63-66,68-74H,3-4,6,8-10,12,14-16,18,20-21,24-27,29,31-35,37,39-43H2,1-2H3,(H,62,67)/b7-5-,13-11-,19-17-,23-22-,30-28+,38-36+.

What are the key properties of (10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide?

(10Z,13Z,16Z,19Z)-N-[(4E,8E)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide has a molecular weight of 1140.50 g/mol, XLogP of 5.43, 43 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)-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-hydroxyhenicosa-4,8-dien-2-yl]docosa-10,13,16,19-tetraenamide is sourced from PubChem (CID 165211944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).