6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

C47H79N3O13 — CID 123156990

About 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one (PubChem CID 123156990) has the molecular formula C47H79N3O13 and a molecular weight of 894.16 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one.

Molecular Properties

• Compound Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
• PubChem CID: 123156990
• Molecular Formula: C47H79N3O13
• Molecular Weight: 894.16 g/mol
• Exact Mass: 893.56
• IUPAC Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
• SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NN=C(C)c2ccc(OC)cc2)C(C)C(O)C1(C)O
• InChI: InChI=1S/C47H79N3O13/c1-17-35-47(11,55)40(52)27(4)37(49-48-30(7)32-18-20-33(56-14)21-19-32)25(2)23-46(10,58-16)42(63-44-38(51)34(50(12)13)22-26(3)59-44)28(5)39(29(6)43(54)61-35)62-36-24-45(9,57-15)41(53)31(8)60-36/h18-21,25-29,31,34-36,38-42,44,51-53,55H,17,22-24H2,1-16H3
• InChIKey: UWORSQIRAUNTCG-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 199.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.16
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one?

The IUPAC name of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one (CID 123156990) is 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one.

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

The canonical SMILES for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one is CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NN=C(C)c2ccc(OC)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-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one?

The InChIKey is UWORSQIRAUNTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H79N3O13/c1-17-35-47(11,55)40(52)27(4)37(49-48-30(7)32-18-20-33(56-14)21-19-32)25(2)23-46(10,58-16)42(63-44-38(51)34(50(12)13)22-26(3)59-44)28(5)39(29(6)43(54)61-35)62-36-24-45(9,57-15)41(53)31(8)60-36/h18-21,25-29,31,34-36,38-42,44,51-53,55H,17,22-24H2,1-16H3.

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

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one has a molecular weight of 894.16 g/mol, XLogP of 4.74, 11 rotatable bonds, 4 hydrogen bond donors, and 16 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-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-10-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 123156990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).