[(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde

C40H40N4O10 — CID 172964128

About [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde

[(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde (PubChem CID 172964128) has the molecular formula C40H40N4O10 and a molecular weight of 736.78 g/mol. Its IUPAC name is [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde.

Molecular Properties

• Compound Name: [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde
• PubChem CID: 172964128
• Molecular Formula: C40H40N4O10
• Molecular Weight: 736.78 g/mol
• Exact Mass: 736.27
• IUPAC Name: [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde
• SMILES: C=O.CCOc1cc(/C=N/N=C/c2ccc(COO[C@@H]3COC4C(OC(=O)c5ccc(/C=N/N=C/c6ccc(O)c(C)c6)cc5)COC43)cc2)ccc1O
• InChI: InChI=1S/C39H38N4O9.CH2O/c1-3-47-34-17-30(11-15-33(34)45)21-43-40-18-26-4-6-28(7-5-26)22-50-52-36-24-49-37-35(23-48-38(36)37)51-39(46)31-12-8-27(9-13-31)19-41-42-20-29-10-14-32(44)25(2)16-29;1-2/h4-21,35-38,44-45H,3,22-24H2,1-2H3;1H2/b40-18+,41-19+,42-20+,43-21+;/t35?,36-,37?,38?;/m1./s1
• InChIKey: ATHOSPLLBZZQMS-IZGXKEBPSA-N
• XLogP: 5.37
• TPSA: 179.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	736.78
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde?

The IUPAC name of [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde (CID 172964128) is [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde.

What is the SMILES notation for [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde?

The canonical SMILES for [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde is C=O.CCOc1cc(/C=N/N=C/c2ccc(COO[C@@H]3COC4C(OC(=O)c5ccc(/C=N/N=C/c6ccc(O)c(C)c6)cc5)COC43)cc2)ccc1O.

What is the InChIKey of [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde?

The InChIKey is ATHOSPLLBZZQMS-IZGXKEBPSA-N. The full InChI is InChI=1S/C39H38N4O9.CH2O/c1-3-47-34-17-30(11-15-33(34)45)21-43-40-18-26-4-6-28(7-5-26)22-50-52-36-24-49-37-35(23-48-38(36)37)51-39(46)31-12-8-27(9-13-31)19-41-42-20-29-10-14-32(44)25(2)16-29;1-2/h4-21,35-38,44-45H,3,22-24H2,1-2H3;1H2/b40-18+,41-19+,42-20+,43-21+;/t35?,36-,37?,38?;/m1./s1.

What are the key properties of [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde?

[(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde has a molecular weight of 736.78 g/mol, XLogP of 5.37, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-[[4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-[(E)-(4-hydroxy-3-methylphenyl)methylidenehydrazinylidene]methyl]benzoate;formaldehyde is sourced from PubChem (CID 172964128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).