(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide

C65H103NO8 — CID 164501425

About (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide

(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide (PubChem CID 164501425) has the molecular formula C65H103NO8 and a molecular weight of 1026.54 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide.

Molecular Properties

• Compound Name: (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide
• PubChem CID: 164501425
• Molecular Formula: C65H103NO8
• Molecular Weight: 1026.54 g/mol
• Exact Mass: 1025.77
• IUPAC Name: (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide
• 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\C/C=C\CCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCC
• InChI: InChI=1S/C65H103NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-47-49-51-53-55-61(69)66-58(57-73-65-64(72)63(71)62(70)60(56-67)74-65)59(68)54-52-50-48-46-44-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,26-27,29-30,32-33,35-36,38-39,41-42,45,47,52,54,58-60,62-65,67-68,70-72H,3-4,6,8-10,12,14-16,19,22,25,28,31,34,37,40,43-44,46,48-51,53,55-57H2,1-2H3,(H,66,69)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,42-41-,47-45-,54-52+
• InChIKey: ZIEDFOGVGNGZIT-MXPKNINASA-N
• XLogP: 14.45
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 46
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.54
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

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 (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

The IUPAC name of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide (CID 164501425) is (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide.

What is the SMILES notation for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

The canonical SMILES for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide 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\C/C=C\CCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCC.

What is the InChIKey of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

The InChIKey is ZIEDFOGVGNGZIT-MXPKNINASA-N. The full InChI is InChI=1S/C65H103NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-47-49-51-53-55-61(69)66-58(57-73-65-64(72)63(71)62(70)60(56-67)74-65)59(68)54-52-50-48-46-44-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,26-27,29-30,32-33,35-36,38-39,41-42,45,47,52,54,58-60,62-65,67-68,70-72H,3-4,6,8-10,12,14-16,19,22,25,28,31,34,37,40,43-44,46,48-51,53,55-57H2,1-2H3,(H,66,69)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,42-41-,47-45-,54-52+.

What are the key properties of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide?

(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide has a molecular weight of 1026.54 g/mol, XLogP of 14.45, 46 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z,36Z,39Z)-N-[(E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadec-4-en-2-yl]dotetraconta-6,9,12,15,18,21,24,27,30,33,36,39-dodecaenamide is sourced from PubChem (CID 164501425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).