methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate

C43H48N4O7 — CID 162855662

About methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate

methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate (PubChem CID 162855662) has the molecular formula C43H48N4O7 and a molecular weight of 732.88 g/mol. Its IUPAC name is methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate.

Molecular Properties

• Compound Name: methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
• PubChem CID: 162855662
• Molecular Formula: C43H48N4O7
• Molecular Weight: 732.88 g/mol
• Exact Mass: 732.35
• IUPAC Name: methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
• SMILES: COC(=O)C1=C2Nc3ccccc3C23CCN2C(=O)C4(CC5CC67CCOC6CCN6CCC8(c9cccc(OC)c9N(C4)C58O)C67)C4OCCC4(C1)C23
• InChI: InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-31(29)47-23-40(21-24-20-38-13-18-53-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)50)36-39(14-19-54-36)22-25(33(48)52-2)32-41(11-17-46(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-36,44,50H,10-23H2,1-2H3
• InChIKey: BZQCAVOSZWOKSM-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 113.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	732.88
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate?

The IUPAC name of methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate (CID 162855662) is methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate.

What is the SMILES notation for methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate?

The canonical SMILES for methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate is COC(=O)C1=C2Nc3ccccc3C23CCN2C(=O)C4(CC5CC67CCOC6CCN6CCC8(c9cccc(OC)c9N(C4)C58O)C67)C4OCCC4(C1)C23.

What is the InChIKey of methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate?

The InChIKey is BZQCAVOSZWOKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-31(29)47-23-40(21-24-20-38-13-18-53-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)50)36-39(14-19-54-36)22-25(33(48)52-2)32-41(11-17-46(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-36,44,50H,10-23H2,1-2H3.

What are the key properties of methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate?

methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate has a molecular weight of 732.88 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 24'-hydroxy-19'-methoxy-18-oxospiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate is sourced from PubChem (CID 162855662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).