(7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide

C68H107NO13 — CID 165261377

About (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide (PubChem CID 165261377) has the molecular formula C68H107NO13 and a molecular weight of 1146.60 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide
• PubChem CID: 165261377
• Molecular Formula: C68H107NO13
• Molecular Weight: 1146.60 g/mol
• Exact Mass: 1145.77
• IUPAC Name: (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCC
• InChI: InChI=1S/C68H107NO13/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-60(73)69-56(57(72)51-49-47-45-43-41-14-12-10-8-6-4-2)55-79-67-65(78)63(76)66(59(54-71)81-67)82-68-64(77)62(75)61(74)58(53-70)80-68/h5,7,11,13,16-17,19-20,22-23,25-26,28-29,31-32,34-35,37-38,40-43,49,51,56-59,61-68,70-72,74-78H,3-4,6,8-10,12,14-15,18,21,24,27,30,33,36,39,44-48,50,52-55H2,1-2H3,(H,69,73)/b7-5-,13-11-,17-16-,20-19-,23-22-,26-25-,29-28-,32-31-,35-34-,38-37-,42-40-,43-41+,51-49+
• InChIKey: NIUIAIFWZFJKSH-SCUZZZJBSA-N
• XLogP: 11.11
• TPSA: 227.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 46
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1146.60
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide (CID 165261377) is (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCC.

What is the InChIKey of (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide?

The InChIKey is NIUIAIFWZFJKSH-SCUZZZJBSA-N. The full InChI is InChI=1S/C68H107NO13/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-60(73)69-56(57(72)51-49-47-45-43-41-14-12-10-8-6-4-2)55-79-67-65(78)63(76)66(59(54-71)81-67)82-68-64(77)62(75)61(74)58(53-70)80-68/h5,7,11,13,16-17,19-20,22-23,25-26,28-29,31-32,34-35,37-38,40-43,49,51,56-59,61-68,70-72,74-78H,3-4,6,8-10,12,14-15,18,21,24,27,30,33,36,39,44-48,50,52-55H2,1-2H3,(H,69,73)/b7-5-,13-11-,17-16-,20-19-,23-22-,26-25-,29-28-,32-31-,35-34-,38-37-,42-40-,43-41+,51-49+.

What are the key properties of (7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide has a molecular weight of 1146.60 g/mol, XLogP of 11.11, 46 rotatable bonds, 9 hydrogen bond donors, and 13 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-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]tetraconta-7,10,13,16,19,22,25,28,31,34,37-undecaenamide is sourced from PubChem (CID 165261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).