acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide

C46H74N2O9 — CID 143012897

About acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide

acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide (PubChem CID 143012897) has the molecular formula C46H74N2O9 and a molecular weight of 799.10 g/mol. Its IUPAC name is acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide.

Molecular Properties

• Compound Name: acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide
• PubChem CID: 143012897
• Molecular Formula: C46H74N2O9
• Molecular Weight: 799.10 g/mol
• Exact Mass: 798.54
• IUPAC Name: acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide
• SMILES: CC/C(O)=C(\C)NC(=O)/C(C)=C/C=C/C=C/C=C/C=C/C(C)C(OC1OC(CO)C(O)C(O)C1O)/C(C)=C/C(C)CCC/C=C/C(C)C/C=C/CCCN.CC=O
• InChI: InChI=1S/C44H70N2O8.C2H4O/c1-8-37(48)36(7)46-43(52)34(5)27-21-13-11-9-10-12-20-26-33(4)42(54-44-41(51)40(50)39(49)38(30-47)53-44)35(6)29-32(3)25-19-16-18-24-31(2)23-17-14-15-22-28-45;1-2-3/h9-14,17-18,20-21,24,26-27,29,31-33,38-42,44,47-51H,8,15-16,19,22-23,25,28,30,45H2,1-7H3,(H,46,52);2H,1H3/b11-9+,12-10+,17-14+,21-13+,24-18+,26-20+,34-27+,35-29+,37-36-
• InChIKey: SWBQJSJVVRDZQB-APOLGEQRSA-N
• XLogP: 7.13
• TPSA: 191.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	799.10
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide?

The IUPAC name of acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide (CID 143012897) is acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide.

What is the SMILES notation for acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide?

The canonical SMILES for acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide is CC/C(O)=C(\C)NC(=O)/C(C)=C/C=C/C=C/C=C/C=C/C(C)C(OC1OC(CO)C(O)C(O)C1O)/C(C)=C/C(C)CCC/C=C/C(C)C/C=C/CCCN.CC=O.

What is the InChIKey of acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide?

The InChIKey is SWBQJSJVVRDZQB-APOLGEQRSA-N. The full InChI is InChI=1S/C44H70N2O8.C2H4O/c1-8-37(48)36(7)46-43(52)34(5)27-21-13-11-9-10-12-20-26-33(4)42(54-44-41(51)40(50)39(49)38(30-47)53-44)35(6)29-32(3)25-19-16-18-24-31(2)23-17-14-15-22-28-45;1-2-3/h9-14,17-18,20-21,24,26-27,29,31-33,38-42,44,47-51H,8,15-16,19,22-23,25,28,30,45H2,1-7H3,(H,46,52);2H,1H3/b11-9+,12-10+,17-14+,21-13+,24-18+,26-20+,34-27+,35-29+,37-36-;.

What are the key properties of acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide?

acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide has a molecular weight of 799.10 g/mol, XLogP of 7.13, 24 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;(2E,4E,6E,8E,10E,14E,20E,24E)-28-amino-N-[(Z)-3-hydroxypent-2-en-2-yl]-2,12,14,16,22-pentamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosa-2,4,6,8,10,14,20,24-octaenamide is sourced from PubChem (CID 143012897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).