(27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide

C84H151NO8 — CID 164503340

About (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide

(27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide (PubChem CID 164503340) has the molecular formula C84H151NO8 and a molecular weight of 1303.13 g/mol. Its IUPAC name is (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide.

Molecular Properties

• Compound Name: (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide
• PubChem CID: 164503340
• Molecular Formula: C84H151NO8
• Molecular Weight: 1303.13 g/mol
• Exact Mass: 1302.14
• IUPAC Name: (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C84H151NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-80(88)85-77(76-92-84-83(91)82(90)81(89)79(75-86)93-84)78(87)73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,55,57,63,65,71,73,77-79,81-84,86-87,89-91H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-54,56,58-62,64,66-70,72,74-76H2,1-2H3,(H,85,88)/b7-5-,13-11-,19-17-,25-23-,31-29-,57-55+,65-63+,73-71+
• InChIKey: ZLWFINHCRCHCKA-LQUACJLXSA-N
• XLogP: 22.98
• TPSA: 148.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 70
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1303.13
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

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 (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide?

The IUPAC name of (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide (CID 164503340) is (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide.

What is the SMILES notation for (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide?

The canonical SMILES for (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide?

The InChIKey is ZLWFINHCRCHCKA-LQUACJLXSA-N. The full InChI is InChI=1S/C84H151NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-80(88)85-77(76-92-84-83(91)82(90)81(89)79(75-86)93-84)78(87)73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,29,31,55,57,63,65,71,73,77-79,81-84,86-87,89-91H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-54,56,58-62,64,66-70,72,74-76H2,1-2H3,(H,85,88)/b7-5-,13-11-,19-17-,25-23-,31-29-,57-55+,65-63+,73-71+.

What are the key properties of (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide?

(27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide has a molecular weight of 1303.13 g/mol, XLogP of 22.98, 70 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (27Z,30Z,33Z,36Z,39Z)-N-[(4E,8E,12E)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-4,8,12-trien-2-yl]dotetraconta-27,30,33,36,39-pentaenamide is sourced from PubChem (CID 164503340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).