(8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide

C77H131NO18 — CID 165225954

About (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide

(8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide (PubChem CID 165225954) has the molecular formula C77H131NO18 and a molecular weight of 1358.88 g/mol. Its IUPAC name is (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide.

Molecular Properties

• Compound Name: (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide
• PubChem CID: 165225954
• Molecular Formula: C77H131NO18
• Molecular Weight: 1358.88 g/mol
• Exact Mass: 1357.94
• IUPAC Name: (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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/CCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C77H131NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-34-36-38-40-42-44-46-48-50-52-54-61(82)60(78-65(83)55-53-51-49-47-45-43-41-39-37-35-32-26-24-22-20-18-16-14-12-10-8-6-4-2)59-91-75-71(89)68(86)73(63(57-80)93-75)96-77-72(90)69(87)74(64(58-81)94-77)95-76-70(88)67(85)66(84)62(56-79)92-76/h6,8,12,14,18,20,24,26,35-38,41,43-44,46,52,54,60-64,66-77,79-82,84-90H,3-5,7,9-11,13,15-17,19,21-23,25,27-34,39-40,42,45,47-51,53,55-59H2,1-2H3,(H,78,83)/b8-6-,14-12-,20-18-,26-24-,37-35-,38-36+,43-41-,46-44+,54-52+
• InChIKey: HYHVYGNAVOEDKJ-IGJDPFBTSA-N
• XLogP: 11.00
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 56
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.88
LogP ≤ 5	11.00
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 (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

The IUPAC name of (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide (CID 165225954) is (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide.

What is the SMILES notation for (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

The canonical SMILES for (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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/CCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

The InChIKey is HYHVYGNAVOEDKJ-IGJDPFBTSA-N. The full InChI is InChI=1S/C77H131NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-34-36-38-40-42-44-46-48-50-52-54-61(82)60(78-65(83)55-53-51-49-47-45-43-41-39-37-35-32-26-24-22-20-18-16-14-12-10-8-6-4-2)59-91-75-71(89)68(86)73(63(57-80)93-75)96-77-72(90)69(87)74(64(58-81)94-77)95-76-70(88)67(85)66(84)62(56-79)92-76/h6,8,12,14,18,20,24,26,35-38,41,43-44,46,52,54,60-64,66-77,79-82,84-90H,3-5,7,9-11,13,15-17,19,21-23,25,27-34,39-40,42,45,47-51,53,55-59H2,1-2H3,(H,78,83)/b8-6-,14-12-,20-18-,26-24-,37-35-,38-36+,43-41-,46-44+,54-52+.

What are the key properties of (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide?

(8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide has a molecular weight of 1358.88 g/mol, XLogP of 11.00, 56 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (8Z,11Z,14Z,17Z,20Z,23Z)-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-hydroxytritriaconta-4,8,12-trien-2-yl]hexacosa-8,11,14,17,20,23-hexaenamide is sourced from PubChem (CID 165225954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).