(Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide

C69H129NO18 — CID 165203253

About (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide

(Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide (PubChem CID 165203253) has the molecular formula C69H129NO18 and a molecular weight of 1260.78 g/mol. Its IUPAC name is (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide.

Molecular Properties

• Compound Name: (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide
• PubChem CID: 165203253
• Molecular Formula: C69H129NO18
• Molecular Weight: 1260.78 g/mol
• Exact Mass: 1259.92
• IUPAC Name: (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide
• SMILES: CCCC/C=C\CCCCCCCC(=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/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C69H129NO18/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-53(74)52(70-57(75)47-45-43-41-39-36-14-12-10-8-6-4-2)51-83-67-63(81)60(78)65(55(49-72)85-67)88-69-64(82)61(79)66(56(50-73)86-69)87-68-62(80)59(77)58(76)54(48-71)84-68/h10,12,44,46,52-56,58-69,71-74,76-82H,3-9,11,13-43,45,47-51H2,1-2H3,(H,70,75)/b12-10-,46-44+
• InChIKey: DLMLHZJQMGGUGP-LJSIDVGJSA-N
• XLogP: 9.44
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 55
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1260.78
LogP ≤ 5	9.44
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 (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide?

The IUPAC name of (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide (CID 165203253) is (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide.

What is the SMILES notation for (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide?

The canonical SMILES for (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide is CCCC/C=C\CCCCCCCC(=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/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide?

The InChIKey is DLMLHZJQMGGUGP-LJSIDVGJSA-N. The full InChI is InChI=1S/C69H129NO18/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-53(74)52(70-57(75)47-45-43-41-39-36-14-12-10-8-6-4-2)51-83-67-63(81)60(78)65(55(49-72)85-67)88-69-64(82)61(79)66(56(50-73)86-69)87-68-62(80)59(77)58(76)54(48-71)84-68/h10,12,44,46,52-56,58-69,71-74,76-82H,3-9,11,13-43,45,47-51H2,1-2H3,(H,70,75)/b12-10-,46-44+.

What are the key properties of (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide?

(Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide has a molecular weight of 1260.78 g/mol, XLogP of 9.44, 55 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(E)-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-hydroxyheptatriacont-4-en-2-yl]tetradec-9-enamide is sourced from PubChem (CID 165203253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).