(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide

C72H117NO13 — CID 165202497

About (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide

(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide (PubChem CID 165202497) has the molecular formula C72H117NO13 and a molecular weight of 1204.72 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide.

Molecular Properties

• Compound Name: (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide
• PubChem CID: 165202497
• Molecular Formula: C72H117NO13
• Molecular Weight: 1204.72 g/mol
• Exact Mass: 1203.85
• IUPAC Name: (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide
• 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\CCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCC
• InChI: InChI=1S/C72H117NO13/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-64(77)73-60(61(76)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2)59-83-71-69(82)67(80)70(63(58-75)85-71)86-72-68(81)66(79)65(78)62(57-74)84-72/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,40,42,45-48,53,55,60-63,65-72,74-76,78-82H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37-39,41,43-44,49-52,54,56-59H2,1-2H3,(H,73,77)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,42-40-,47-45+,48-46-,55-53+
• InChIKey: DINXFTPZRDHOHX-BPRYPEOKSA-N
• XLogP: 12.89
• TPSA: 227.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 51
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1204.72
LogP ≤ 5	12.89
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 (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide?

The IUPAC name of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide (CID 165202497) is (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide.

What is the SMILES notation for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide?

The canonical SMILES for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide 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\CCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCC.

What is the InChIKey of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide?

The InChIKey is DINXFTPZRDHOHX-BPRYPEOKSA-N. The full InChI is InChI=1S/C72H117NO13/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-64(77)73-60(61(76)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2)59-83-71-69(82)67(80)70(63(58-75)85-71)86-72-68(81)66(79)65(78)62(57-74)84-72/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,40,42,45-48,53,55,60-63,65-72,74-76,78-82H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37-39,41,43-44,49-52,54,56-59H2,1-2H3,(H,73,77)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,42-40-,47-45+,48-46-,55-53+.

What are the key properties of (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide?

(6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide has a molecular weight of 1204.72 g/mol, XLogP of 12.89, 51 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,9Z,12Z,15Z,18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetracosa-4,8-dien-2-yl]hexatriaconta-6,9,12,15,18,21,24,27,30,33-decaenamide is sourced from PubChem (CID 165202497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).