(7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide

C62H103NO18 — CID 165246415

About (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide

(7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide (PubChem CID 165246415) has the molecular formula C62H103NO18 and a molecular weight of 1150.49 g/mol. Its IUPAC name is (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide.

Molecular Properties

• Compound Name: (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide
• PubChem CID: 165246415
• Molecular Formula: C62H103NO18
• Molecular Weight: 1150.49 g/mol
• Exact Mass: 1149.72
• IUPAC Name: (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/CCCCCCCCC
• InChI: InChI=1S/C62H103NO18/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h5,7,11,13,17,19-20,22-24,28-31,37,39,45-49,51-62,64-67,69-75H,3-4,6,8-10,12,14-16,18,21,25-27,32-36,38,40-44H2,1-2H3,(H,63,68)/b7-5-,13-11-,19-17-,23-20+,24-22-,30-28-,31-29+,39-37+
• InChIKey: LBHHIVVSVRIKJK-CMAOOSRGSA-N
• XLogP: 5.37
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1150.49
LogP ≤ 5	5.37
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 (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide?

The IUPAC name of (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide (CID 165246415) is (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide.

What is the SMILES notation for (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide?

The canonical SMILES for (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/CCCCCCCCC.

What is the InChIKey of (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide?

The InChIKey is LBHHIVVSVRIKJK-CMAOOSRGSA-N. The full InChI is InChI=1S/C62H103NO18/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h5,7,11,13,17,19-20,22-24,28-31,37,39,45-49,51-62,64-67,69-75H,3-4,6,8-10,12,14-16,18,21,25-27,32-36,38,40-44H2,1-2H3,(H,63,68)/b7-5-,13-11-,19-17-,23-20+,24-22-,30-28-,31-29+,39-37+.

What are the key properties of (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide?

(7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide has a molecular weight of 1150.49 g/mol, XLogP of 5.37, 42 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z,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-hydroxydocosa-4,8,12-trien-2-yl]docosa-7,10,13,16,19-pentaenamide is sourced from PubChem (CID 165246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).