3-Oxa-12,21-dithia-15,22-diazatetracyclo(16.2.1.110,13.02,4)docosa-6,8,10,13(22)-tetraene-18-acetic acid, alpha-hydroxy-alpha,1,14-trimethyl-5,16-dioxo-, methyl ester, 21,21-dioxide, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-

Base Information

• Chemical Name: 3-Oxa-12,21-dithia-15,22-diazatetracyclo(16.2.1.110,13.02,4)docosa-6,8,10,13(22)-tetraene-18-acetic acid, alpha-hydroxy-alpha,1,14-trimethyl-5,16-dioxo-, methyl ester, 21,21-dioxide, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-
• CAS No.: 190774-61-9
• Molecular Formula: C23H28N2O8S2
• Molecular Weight: 524.607

Synonyms:190774-61-9;3-Oxa-12,21-dithia-15,22-diazatetracyclo(16.2.1.110,13.02,4)docosa-6,8,10,13(22)-tetraene-18-acetic acid, alpha-hydroxy-alpha,1,14-trimethyl-5,16-dioxo-, methyl ester, 21,21-dioxide, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-;C23H28N2O8S2;C23-H28-N2-O8-S2

Chemical Property of 3-Oxa-12,21-dithia-15,22-diazatetracyclo(16.2.1.110,13.02,4)docosa-6,8,10,13(22)-tetraene-18-acetic acid, alpha-hydroxy-alpha,1,14-trimethyl-5,16-dioxo-, methyl ester, 21,21-dioxide, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-

Chemical Property:

• Vapor Pressure: 1.28E-27mmHg at 25°C
• Boiling Point: 808.6°Cat760mmHg
• Flash Point: 442.8°C
• Density: 1.374g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 524.12870820
• Heavy Atom Count: 35
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=NC(=CS2)C=CC=CC(=O)C3C(O3)C4(CCC(S4(=O)=O)(CC(=O)N1)C(C)(C(=O)OC)O)C
• Isomeric SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@H]3[C@@H](O3)[C@@]4(CC[C@@](S4(=O)=O)(CC(=O)N1)[C@](C)(C(=O)OC)O)C

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