N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide

C28H37NO10S — CID 59466682

About N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide

N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide (PubChem CID 59466682) has the molecular formula C28H37NO10S and a molecular weight of 579.67 g/mol. Its IUPAC name is N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide
• PubChem CID: 59466682
• Molecular Formula: C28H37NO10S
• Molecular Weight: 579.67 g/mol
• Exact Mass: 579.21
• IUPAC Name: N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide
• SMILES: COCOc1cc2oc(CNS(C)(=O)=O)cc2c2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2
• InChI: InChI=1S/C28H37NO10S/c1-16-10-11-21(30)26-22(38-28(3,4)39-26)9-7-8-19-20-12-18(14-29-40(6,32)33)37-23(20)13-24(35-15-34-5)25(19)27(31)36-17(16)2/h7-8,10-13,16-17,21-22,26,29-30H,9,14-15H2,1-6H3/b8-7+,11-10-/t16-,17+,21?,22+,26-/m1/s1
• InChIKey: WEGWNWQBXRNHPX-ZHSXJGQDSA-N
• XLogP: 3.50
• TPSA: 142.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.67
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide (CID 59466682) is N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide is COCOc1cc2oc(CNS(C)(=O)=O)cc2c2c1C(=O)O[C@@H](C)[C@H](C)/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1C/C=C/2.

What is the InChIKey of N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide?

The InChIKey is WEGWNWQBXRNHPX-ZHSXJGQDSA-N. The full InChI is InChI=1S/C28H37NO10S/c1-16-10-11-21(30)26-22(38-28(3,4)39-26)9-7-8-19-20-12-18(14-29-40(6,32)33)37-23(20)13-24(35-15-34-5)25(19)27(31)36-17(16)2/h7-8,10-13,16-17,21-22,26,29-30H,9,14-15H2,1-6H3/b8-7+,11-10-/t16-,17+,21?,22+,26-/m1/s1.

What are the key properties of N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide?

N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide has a molecular weight of 579.67 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2E,5S,9R,11Z,13R,14S)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15,21-tetraoxatetracyclo[15.7.0.05,9.020,24]tetracosa-1(24),2,11,17,19,22-hexaen-22-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59466682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).