[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate

C53H75N3O10 — CID 123368110

About [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate

[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate (PubChem CID 123368110) has the molecular formula C53H75N3O10 and a molecular weight of 914.19 g/mol. Its IUPAC name is [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate.

Molecular Properties

• Compound Name: [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate
• PubChem CID: 123368110
• Molecular Formula: C53H75N3O10
• Molecular Weight: 914.19 g/mol
• Exact Mass: 913.55
• IUPAC Name: [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate
• SMILES: CCC1OC(=O)C(C)C(OC(=O)Cc2ccc(C)cc2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NN=C(C)c2ccc(-c3ccccc3)cc2)C(C)C(O)C1(C)O
• InChI: InChI=1S/C53H75N3O10/c1-14-43-53(10,61)48(59)34(5)45(55-54-37(8)39-24-26-41(27-25-39)40-18-16-15-17-19-40)32(3)30-52(9,62-13)49(66-51-46(58)42(56(11)12)28-33(4)63-51)35(6)47(36(7)50(60)64-43)65-44(57)29-38-22-20-31(2)21-23-38/h15-27,32-36,42-43,46-49,51,58-59,61H,14,28-30H2,1-13H3
• InChIKey: WXXRJPKCLPDJBQ-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 168.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.19
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate?

The IUPAC name of [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate (CID 123368110) is [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate.

What is the SMILES notation for [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate?

The canonical SMILES for [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate is CCC1OC(=O)C(C)C(OC(=O)Cc2ccc(C)cc2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NN=C(C)c2ccc(-c3ccccc3)cc2)C(C)C(O)C1(C)O.

What is the InChIKey of [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate?

The InChIKey is WXXRJPKCLPDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H75N3O10/c1-14-43-53(10,61)48(59)34(5)45(55-54-37(8)39-24-26-41(27-25-39)40-18-16-15-17-19-40)32(3)30-52(9,62-13)49(66-51-46(58)42(56(11)12)28-33(4)63-51)35(6)47(36(7)50(60)64-43)65-44(57)29-38-22-20-31(2)21-23-38/h15-27,32-36,42-43,46-49,51,58-59,61H,14,28-30H2,1-13H3.

What are the key properties of [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate?

[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate has a molecular weight of 914.19 g/mol, XLogP of 7.58, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-[1-(4-phenylphenyl)ethylidenehydrazinylidene]-oxacyclotetradec-4-yl] 2-(4-methylphenyl)acetate is sourced from PubChem (CID 123368110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).