C26H33NO9S

Base Information

• Chemical Name: C26H33NO9S
• CAS No.: 66568-82-9
• Molecular Formula: C26H33NO9S
• Molecular Weight: 535.6065
• NSC Number: 186308,221659
• DSSTox Substance ID: DTXSID00985166

Synonyms:66568-82-9;NSC221659;DTXSID00985166;NSC186308;NSC-186308;NSC-221659;Benzo[a]heptalen-9(5H)-one,7-dihydro-7-(.beta.-D-mannopyranosylamino)-1,2,3-trimethoxy-10-(methylthio)-, (S)-;N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexopyranosylamine

Chemical Property of C26H33NO9S

Chemical Property:

• Vapor Pressure: 6.06E-30mmHg at 25°C
• Melting Point: 190 °C (decomp)(Solv: ethanol, 85% (64-17-5))
• Boiling Point: 839.8°Cat760mmHg
• PKA: 13.21±0.70(Predicted)
• Flash Point: 461.7°C
• PSA: 172.24000
• Density: 1.43g/cm³
• LogP: 1.22920
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 535.18760280
• Heavy Atom Count: 37
• Complexity: 924

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC
• Isomeric SMILES: COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC

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