(29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide

C93H165NO18 — CID 165188679

About (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide

(29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide (PubChem CID 165188679) has the molecular formula C93H165NO18 and a molecular weight of 1585.33 g/mol. Its IUPAC name is (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide.

Molecular Properties

• Compound Name: (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide
• PubChem CID: 165188679
• Molecular Formula: C93H165NO18
• Molecular Weight: 1585.33 g/mol
• Exact Mass: 1584.20
• IUPAC Name: (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/CC/C=C/CCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C93H165NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-63-65-67-69-71-81(99)94-76(77(98)70-68-66-64-62-60-58-56-54-52-50-48-46-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)75-107-91-87(105)84(102)89(79(73-96)109-91)112-93-88(106)85(103)90(80(74-97)110-93)111-92-86(104)83(101)82(100)78(72-95)108-92/h5,7,11,13,17,19,23,25,29,31,52,54,60,62,68,70,76-80,82-93,95-98,100-106H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-51,53,55-59,61,63-67,69,71-75H2,1-2H3,(H,94,99)/b7-5-,13-11-,19-17-,25-23-,31-29-,54-52+,62-60+,70-68+
• InChIKey: BFRKNIXARYBTMX-MBUSYSNGSA-N
• XLogP: 17.46
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 73
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.33
LogP ≤ 5	17.46
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 (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide?

The IUPAC name of (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide (CID 165188679) is (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide.

What is the SMILES notation for (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide?

The canonical SMILES for (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/CC/C=C/CCCCCCCCCCCCCCCCCC.

What is the InChIKey of (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide?

The InChIKey is BFRKNIXARYBTMX-MBUSYSNGSA-N. The full InChI is InChI=1S/C93H165NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-55-57-59-61-63-65-67-69-71-81(99)94-76(77(98)70-68-66-64-62-60-58-56-54-52-50-48-46-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)75-107-91-87(105)84(102)89(79(73-96)109-91)112-93-88(106)85(103)90(80(74-97)110-93)111-92-86(104)83(101)82(100)78(72-95)108-92/h5,7,11,13,17,19,23,25,29,31,52,54,60,62,68,70,76-80,82-93,95-98,100-106H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-51,53,55-59,61,63-67,69,71-75H2,1-2H3,(H,94,99)/b7-5-,13-11-,19-17-,25-23-,31-29-,54-52+,62-60+,70-68+.

What are the key properties of (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide?

(29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide has a molecular weight of 1585.33 g/mol, XLogP of 17.46, 73 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (29Z,32Z,35Z,38Z,41Z)-N-[(4E,8E,12E)-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-4,8,12-trien-2-yl]tetratetraconta-29,32,35,38,41-pentaenamide is sourced from PubChem (CID 165188679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).