(7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide

C77H135NO18 — CID 165324421

About (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide

(7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide (PubChem CID 165324421) has the molecular formula C77H135NO18 and a molecular weight of 1362.92 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide.

Molecular Properties

• Compound Name: (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide
• PubChem CID: 165324421
• Molecular Formula: C77H135NO18
• Molecular Weight: 1362.92 g/mol
• Exact Mass: 1361.97
• IUPAC Name: (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide
• SMILES: CC/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/CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C77H135NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-61(82)60(78-65(83)55-53-51-49-47-45-43-41-39-36-22-20-18-16-14-12-10-8-6-4-2)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/h6,8,12,14,18,20,36,39,43-46,52,54,60-64,66-77,79-82,84-90H,3-5,7,9-11,13,15-17,19,21-35,37-38,40-42,47-51,53,55-59H2,1-2H3,(H,78,83)/b8-6-,14-12-,20-18-,39-36-,45-43-,46-44+,54-52+
• InChIKey: XSXIKLVPHXWOOW-COWGTEELSA-N
• XLogP: 11.44
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 58
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1362.92
LogP ≤ 5	11.44
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)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide?

The IUPAC name of (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide (CID 165324421) is (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide.

What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide?

The canonical SMILES for (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide is CC/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/CCCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide?

The InChIKey is XSXIKLVPHXWOOW-COWGTEELSA-N. The full InChI is InChI=1S/C77H135NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-61(82)60(78-65(83)55-53-51-49-47-45-43-41-39-36-22-20-18-16-14-12-10-8-6-4-2)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/h6,8,12,14,18,20,36,39,43-46,52,54,60-64,66-77,79-82,84-90H,3-5,7,9-11,13,15-17,19,21-35,37-38,40-42,47-51,53,55-59H2,1-2H3,(H,78,83)/b8-6-,14-12-,20-18-,39-36-,45-43-,46-44+,54-52+.

What are the key properties of (7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide?

(7Z,10Z,13Z,16Z,19Z)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide has a molecular weight of 1362.92 g/mol, XLogP of 11.44, 58 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)-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-hydroxyheptatriaconta-4,8-dien-2-yl]docosa-7,10,13,16,19-pentaenamide is sourced from PubChem (CID 165324421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).