(Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide

C46H85NO18 — CID 165278938

About (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide

(Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide (PubChem CID 165278938) has the molecular formula C46H85NO18 and a molecular weight of 940.17 g/mol. Its IUPAC name is (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide.

Molecular Properties

• Compound Name: (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide
• PubChem CID: 165278938
• Molecular Formula: C46H85NO18
• Molecular Weight: 940.17 g/mol
• Exact Mass: 939.58
• IUPAC Name: (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide
• SMILES: CCCCCCCCC/C=C\CCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CCCCCC
• InChI: InChI=1S/C46H85NO18/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-34(52)47-29(30(51)23-21-8-6-4-2)28-60-44-40(58)37(55)42(32(26-49)62-44)65-46-41(59)38(56)43(33(27-50)63-46)64-45-39(57)36(54)35(53)31(25-48)61-45/h14-15,29-33,35-46,48-51,53-59H,3-13,16-28H2,1-2H3,(H,47,52)/b15-14-
• InChIKey: QBDAFEXJCLEGDH-PFONDFGASA-N
• XLogP: 0.69
• TPSA: 307.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.17
LogP ≤ 5	0.69
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 (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide?

The IUPAC name of (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide (CID 165278938) is (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide.

What is the SMILES notation for (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide?

The canonical SMILES for (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide is CCCCCCCCC/C=C\CCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CCCCCC.

What is the InChIKey of (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide?

The InChIKey is QBDAFEXJCLEGDH-PFONDFGASA-N. The full InChI is InChI=1S/C46H85NO18/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-34(52)47-29(30(51)23-21-8-6-4-2)28-60-44-40(58)37(55)42(32(26-49)62-44)65-46-41(59)38(56)43(33(27-50)63-46)64-45-39(57)36(54)35(53)31(25-48)61-45/h14-15,29-33,35-46,48-51,53-59H,3-13,16-28H2,1-2H3,(H,47,52)/b15-14-.

What are the key properties of (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide?

(Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide has a molecular weight of 940.17 g/mol, XLogP of 0.69, 33 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[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-hydroxynonan-2-yl]nonadec-9-enamide is sourced from PubChem (CID 165278938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).