(14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide

C85H141NO18 — CID 165225903

About (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide

(14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide (PubChem CID 165225903) has the molecular formula C85H141NO18 and a molecular weight of 1465.05 g/mol. Its IUPAC name is (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide.

Molecular Properties

• Compound Name: (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide
• PubChem CID: 165225903
• Molecular Formula: C85H141NO18
• Molecular Weight: 1465.05 g/mol
• Exact Mass: 1464.01
• IUPAC Name: (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-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\CCCCCCCCCCCCC(=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/CCCCCCCCCCCCCC
• InChI: InChI=1S/C85H141NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-63-73(91)86-68(69(90)62-60-58-56-54-52-50-48-46-22-20-18-16-14-12-10-8-6-4-2)67-99-83-79(97)76(94)81(71(65-88)101-83)104-85-80(98)77(95)82(72(66-89)102-85)103-84-78(96)75(93)74(92)70(64-87)100-84/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,38-39,41-42,52,54,60,62,68-72,74-85,87-90,92-98H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37,40,43-51,53,55-59,61,63-67H2,1-2H3,(H,86,91)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,42-41-,54-52+,62-60+
• InChIKey: HYDMYUHKOFFERK-XIBHJCTJSA-N
• XLogP: 13.44
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 61
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1465.05
LogP ≤ 5	13.44
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 (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide?

The IUPAC name of (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide (CID 165225903) is (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide.

What is the SMILES notation for (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide?

The canonical SMILES for (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-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\CCCCCCCCCCCCC(=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/CCCCCCCCCCCCCC.

What is the InChIKey of (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide?

The InChIKey is HYDMYUHKOFFERK-XIBHJCTJSA-N. The full InChI is InChI=1S/C85H141NO18/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-63-73(91)86-68(69(90)62-60-58-56-54-52-50-48-46-22-20-18-16-14-12-10-8-6-4-2)67-99-83-79(97)76(94)81(71(65-88)101-83)104-85-80(98)77(95)82(72(66-89)102-85)103-84-78(96)75(93)74(92)70(64-87)100-84/h5,7,11,13,17,19,23-24,26-27,29-30,32-33,35-36,38-39,41-42,52,54,60,62,68-72,74-85,87-90,92-98H,3-4,6,8-10,12,14-16,18,20-22,25,28,31,34,37,40,43-51,53,55-59,61,63-67H2,1-2H3,(H,86,91)/b7-5-,13-11-,19-17-,24-23-,27-26-,30-29-,33-32-,36-35-,39-38-,42-41-,54-52+,62-60+.

What are the key properties of (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide?

(14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide has a molecular weight of 1465.05 g/mol, XLogP of 13.44, 61 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-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-hydroxytricosa-4,8-dien-2-yl]tetratetraconta-14,17,20,23,26,29,32,35,38,41-decaenamide is sourced from PubChem (CID 165225903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).