(10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide

C89H151NO13 — CID 165206648

About (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide

(10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide (PubChem CID 165206648) has the molecular formula C89H151NO13 and a molecular weight of 1443.18 g/mol. Its IUPAC name is (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide.

Molecular Properties

• Compound Name: (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide
• PubChem CID: 165206648
• Molecular Formula: C89H151NO13
• Molecular Weight: 1443.18 g/mol
• Exact Mass: 1442.12
• IUPAC Name: (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-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\CCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C89H151NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-81(94)90-77(76-100-88-86(99)84(97)87(80(75-92)102-88)103-89-85(98)83(96)82(95)79(74-91)101-89)78(93)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,39-40,43,45,49,51,55,57,62,64,70,72,77-80,82-89,91-93,95-99H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38,41-42,44,46-48,50,52-54,56,58-61,63,65-69,71,73-76H2,1-2H3,(H,90,94)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-,40-39-,45-43-,51-49-,57-55-,64-62+,72-70+
• InChIKey: DZLURDONIZVJIU-WZRUTHCBSA-N
• XLogP: 19.52
• TPSA: 227.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 68
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1443.18
LogP ≤ 5	19.52
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 (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide?

The IUPAC name of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide (CID 165206648) is (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide.

What is the SMILES notation for (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide?

The canonical SMILES for (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-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\CCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide?

The InChIKey is DZLURDONIZVJIU-WZRUTHCBSA-N. The full InChI is InChI=1S/C89H151NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-39-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-81(94)90-77(76-100-88-86(99)84(97)87(80(75-92)102-88)103-89-85(98)83(96)82(95)79(74-91)101-89)78(93)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,35,37,39-40,43,45,49,51,55,57,62,64,70,72,77-80,82-89,91-93,95-99H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-34,36,38,41-42,44,46-48,50,52-54,56,58-61,63,65-69,71,73-76H2,1-2H3,(H,90,94)/b7-5-,13-11-,19-17-,25-23-,31-29-,37-35-,40-39-,45-43-,51-49-,57-55-,64-62+,72-70+.

What are the key properties of (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide?

(10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide has a molecular weight of 1443.18 g/mol, XLogP of 19.52, 68 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,13Z,16Z,19Z,22Z,25Z,28Z,31Z,34Z,37Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptatriaconta-4,8-dien-2-yl]tetraconta-10,13,16,19,22,25,28,31,34,37-decaenamide is sourced from PubChem (CID 165206648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).