(6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide

C73H125NO18 — CID 165305873

About (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide

(6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide (PubChem CID 165305873) has the molecular formula C73H125NO18 and a molecular weight of 1304.79 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide.

Molecular Properties

• Compound Name: (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide
• PubChem CID: 165305873
• Molecular Formula: C73H125NO18
• Molecular Weight: 1304.79 g/mol
• Exact Mass: 1303.89
• IUPAC Name: (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/CCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C73H125NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-31-32-34-36-38-40-42-44-46-48-50-57(78)56(74-61(79)51-49-47-45-43-41-39-37-35-33-30-24-22-20-18-16-14-12-10-8-6-4-2)55-87-71-67(85)64(82)69(59(53-76)89-71)92-73-68(86)65(83)70(60(54-77)90-73)91-72-66(84)63(81)62(80)58(52-75)88-72/h6,8,12,14,18,20,24,30,35,37,40-43,48,50,56-60,62-73,75-78,80-86H,3-5,7,9-11,13,15-17,19,21-23,25-29,31-34,36,38-39,44-47,49,51-55H2,1-2H3,(H,74,79)/b8-6-,14-12-,20-18-,30-24-,37-35-,42-40+,43-41-,50-48+
• InChIKey: UWQSIRJXIMANGX-VCSJSSHRSA-N
• XLogP: 9.66
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 53
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1304.79
LogP ≤ 5	9.66
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 (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide?

The IUPAC name of (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide (CID 165305873) is (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide.

What is the SMILES notation for (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide?

The canonical SMILES for (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/CCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide?

The InChIKey is UWQSIRJXIMANGX-VCSJSSHRSA-N. The full InChI is InChI=1S/C73H125NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-31-32-34-36-38-40-42-44-46-48-50-57(78)56(74-61(79)51-49-47-45-43-41-39-37-35-33-30-24-22-20-18-16-14-12-10-8-6-4-2)55-87-71-67(85)64(82)69(59(53-76)89-71)92-73-68(86)65(83)70(60(54-77)90-73)91-72-66(84)63(81)62(80)58(52-75)88-72/h6,8,12,14,18,20,24,30,35,37,40-43,48,50,56-60,62-73,75-78,80-86H,3-5,7,9-11,13,15-17,19,21-23,25-29,31-34,36,38-39,44-47,49,51-55H2,1-2H3,(H,74,79)/b8-6-,14-12-,20-18-,30-24-,37-35-,42-40+,43-41-,50-48+.

What are the key properties of (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide?

(6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide has a molecular weight of 1304.79 g/mol, XLogP of 9.66, 53 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,9Z,12Z,15Z,18Z,21Z)-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-hydroxyhentriaconta-4,8-dien-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide is sourced from PubChem (CID 165305873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).