(11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide

C74H133NO18 — CID 165262002

About (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide

(11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide (PubChem CID 165262002) has the molecular formula C74H133NO18 and a molecular weight of 1324.87 g/mol. Its IUPAC name is (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide.

Molecular Properties

• Compound Name: (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide
• PubChem CID: 165262002
• Molecular Formula: C74H133NO18
• Molecular Weight: 1324.87 g/mol
• Exact Mass: 1323.95
• IUPAC Name: (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide
• SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/CCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C74H133NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-58(79)57(75-62(80)52-50-48-46-44-42-40-38-35-20-18-16-14-12-10-8-6-4-2)56-88-72-68(86)65(83)70(60(54-77)90-72)93-74-69(87)66(84)71(61(55-78)91-74)92-73-67(85)64(82)63(81)59(53-76)89-73/h6,8,12,14,18,20,41,43,49,51,57-61,63-74,76-79,81-87H,3-5,7,9-11,13,15-17,19,21-40,42,44-48,50,52-56H2,1-2H3,(H,75,80)/b8-6-,14-12-,20-18-,43-41+,51-49+
• InChIKey: NLHXCFBIMJWZEE-QAXQIPRASA-N
• XLogP: 10.72
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 57
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.87
LogP ≤ 5	10.72
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 (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide?

The IUPAC name of (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide (CID 165262002) is (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide.

What is the SMILES notation for (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide?

The canonical SMILES for (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/CCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide?

The InChIKey is NLHXCFBIMJWZEE-QAXQIPRASA-N. The full InChI is InChI=1S/C74H133NO18/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-58(79)57(75-62(80)52-50-48-46-44-42-40-38-35-20-18-16-14-12-10-8-6-4-2)56-88-72-68(86)65(83)70(60(54-77)90-72)93-74-69(87)66(84)71(61(55-78)91-74)92-73-67(85)64(82)63(81)59(53-76)89-73/h6,8,12,14,18,20,41,43,49,51,57-61,63-74,76-79,81-87H,3-5,7,9-11,13,15-17,19,21-40,42,44-48,50,52-56H2,1-2H3,(H,75,80)/b8-6-,14-12-,20-18-,43-41+,51-49+.

What are the key properties of (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide?

(11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide has a molecular weight of 1324.87 g/mol, XLogP of 10.72, 57 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (11Z,14Z,17Z)-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-hydroxyhexatriaconta-4,8-dien-2-yl]icosa-11,14,17-trienamide is sourced from PubChem (CID 165262002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).