(15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide

C67H113NO18 — CID 165264817

About (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide

(15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide (PubChem CID 165264817) has the molecular formula C67H113NO18 and a molecular weight of 1220.63 g/mol. Its IUPAC name is (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide.

Molecular Properties

• Compound Name: (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide
• PubChem CID: 165264817
• Molecular Formula: C67H113NO18
• Molecular Weight: 1220.63 g/mol
• Exact Mass: 1219.80
• IUPAC Name: (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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/CCCCCC
• InChI: InChI=1S/C67H113NO18/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-55(73)68-50(51(72)44-42-40-38-36-34-32-18-16-14-12-10-8-6-4-2)49-81-65-61(79)58(76)63(53(47-70)83-65)86-67-62(80)59(77)64(54(48-71)84-67)85-66-60(78)57(75)56(74)52(46-69)82-66/h5,7,11,13-14,16-17,19,21-22,24-25,34,36,42,44,50-54,56-67,69-72,74-80H,3-4,6,8-10,12,15,18,20,23,26-33,35,37-41,43,45-49H2,1-2H3,(H,68,73)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-,36-34+,44-42+
• InChIKey: NWIFLBAJZYIKHM-YNAYFFMYSA-N
• XLogP: 7.32
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 47
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1220.63
LogP ≤ 5	7.32
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 (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide?

The IUPAC name of (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide (CID 165264817) is (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide.

What is the SMILES notation for (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide?

The canonical SMILES for (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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/CCCCCC.

What is the InChIKey of (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide?

The InChIKey is NWIFLBAJZYIKHM-YNAYFFMYSA-N. The full InChI is InChI=1S/C67H113NO18/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-55(73)68-50(51(72)44-42-40-38-36-34-32-18-16-14-12-10-8-6-4-2)49-81-65-61(79)58(76)63(53(47-70)83-65)86-67-62(80)59(77)64(54(48-71)84-67)85-66-60(78)57(75)56(74)52(46-69)82-66/h5,7,11,13-14,16-17,19,21-22,24-25,34,36,42,44,50-54,56-67,69-72,74-80H,3-4,6,8-10,12,15,18,20,23,26-33,35,37-41,43,45-49H2,1-2H3,(H,68,73)/b7-5-,13-11-,16-14+,19-17-,22-21-,25-24-,36-34+,44-42+.

What are the key properties of (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide?

(15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide has a molecular weight of 1220.63 g/mol, XLogP of 7.32, 47 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (15Z,18Z,21Z,24Z,27Z)-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-hydroxynonadeca-4,8,12-trien-2-yl]triaconta-15,18,21,24,27-pentaenamide is sourced from PubChem (CID 165264817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).