(7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide

C82H133NO18 — CID 165333969

About (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide

(7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide (PubChem CID 165333969) has the molecular formula C82H133NO18 and a molecular weight of 1420.95 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide.

Molecular Properties

• Compound Name: (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide
• PubChem CID: 165333969
• Molecular Formula: C82H133NO18
• Molecular Weight: 1420.95 g/mol
• Exact Mass: 1419.95
• IUPAC Name: (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/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/CCCCCCCCCCCCCCC
• InChI: InChI=1S/C82H133NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-60-70(88)83-65(66(87)59-57-55-53-51-49-47-45-43-41-22-20-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,38-39,42,44,48-51,57,59,65-69,71-82,84-87,89-95H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37,40-41,43,45-47,52-56,58,60-64H2,1-2H3,(H,83,88)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,44-42-,50-48-,51-49+,59-57+
• InChIKey: ZEWDZNUYDMVOPZ-CZKPNORCSA-N
• XLogP: 12.05
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 57
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.95
LogP ≤ 5	12.05
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,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide?

The IUPAC name of (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide (CID 165333969) is (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide.

What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide?

The canonical SMILES for (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/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/CCCCCCCCCCCCCCC.

What is the InChIKey of (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide?

The InChIKey is ZEWDZNUYDMVOPZ-CZKPNORCSA-N. The full InChI is InChI=1S/C82H133NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-60-70(88)83-65(66(87)59-57-55-53-51-49-47-45-43-41-22-20-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,38-39,42,44,48-51,57,59,65-69,71-82,84-87,89-95H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37,40-41,43,45-47,52-56,58,60-64H2,1-2H3,(H,83,88)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,44-42-,50-48-,51-49+,59-57+.

What are the key properties of (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide?

(7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide has a molecular weight of 1420.95 g/mol, XLogP of 12.05, 57 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,22Z,25Z,28Z,31Z,34Z,37Z)-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-hydroxytetracosa-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide is sourced from PubChem (CID 165333969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).