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, (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, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-
• CAS No.: 190774-59-5
• Molecular Formula: C23H28 N2 O6 S2
• Molecular Weight: 492.6082

Synonyms:190774-59-5;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, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-;C23H28N2O6S2;C23-H28-N2-O6-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, (1S-(1R*,2S*,4S*,6E,8Z,14S*,18S*(R*)))-

Chemical Property:

• Vapor Pressure: 3.24E-22mmHg at 25°C
• Boiling Point: 727.5°Cat760mmHg
• Flash Point: 393.8°C
• Density: 1.315g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 492.13887896
• Heavy Atom Count: 33
• Complexity: 896

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=NC(=CS2)C=CC=CC(=O)C3C(O3)C4(CCC(S4)(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)(CC(=O)N1)[C@](C)(C(=O)OC)O)C

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