(15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide

C82H145NO18 — CID 165207437

About (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide

(15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide (PubChem CID 165207437) has the molecular formula C82H145NO18 and a molecular weight of 1433.05 g/mol. Its IUPAC name is (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide.

Molecular Properties

• Compound Name: (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide
• PubChem CID: 165207437
• Molecular Formula: C82H145NO18
• Molecular Weight: 1433.05 g/mol
• Exact Mass: 1432.05
• IUPAC Name: (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-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/CCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C82H145NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-35-37-39-41-43-45-47-49-51-53-55-57-59-66(87)65(83-70(88)60-58-56-54-52-50-48-46-44-42-40-38-36-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)64-96-80-76(94)73(91)78(68(62-85)98-80)101-82-77(95)74(92)79(69(63-86)99-82)100-81-75(93)72(90)71(89)67(61-84)97-81/h6,8,12,14,18,20,24,26,30,33,49,51,57,59,65-69,71-82,84-87,89-95H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31-32,34-48,50,52-56,58,60-64H2,1-2H3,(H,83,88)/b8-6-,14-12-,20-18-,26-24-,33-30-,51-49+,59-57+
• InChIKey: FCSMEKQLGBQKSX-ZGZGWSBGSA-N
• XLogP: 13.39
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 63
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1433.05
LogP ≤ 5	13.39
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)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide?

The IUPAC name of (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide (CID 165207437) is (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide.

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

The canonical SMILES for (15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-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/CCCCCCCCCCCCCCCCCCCCCCCCC.

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

The InChIKey is FCSMEKQLGBQKSX-ZGZGWSBGSA-N. The full InChI is InChI=1S/C82H145NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-35-37-39-41-43-45-47-49-51-53-55-57-59-66(87)65(83-70(88)60-58-56-54-52-50-48-46-44-42-40-38-36-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)64-96-80-76(94)73(91)78(68(62-85)98-80)101-82-77(95)74(92)79(69(63-86)99-82)100-81-75(93)72(90)71(89)67(61-84)97-81/h6,8,12,14,18,20,24,26,30,33,49,51,57,59,65-69,71-82,84-87,89-95H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31-32,34-48,50,52-56,58,60-64H2,1-2H3,(H,83,88)/b8-6-,14-12-,20-18-,26-24-,33-30-,51-49+,59-57+.

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

(15Z,18Z,21Z,24Z,27Z)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide has a molecular weight of 1433.05 g/mol, XLogP of 13.39, 63 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)-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-hydroxytetratriaconta-4,8-dien-2-yl]triaconta-15,18,21,24,27-pentaenamide is sourced from PubChem (CID 165207437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).