Rhodomycin B

Base Information

• Chemical Name: Rhodomycin B
• CAS No.: 1404-52-0
• Molecular Formula: C₂₈H₃₃NO₁₀
• Molecular Weight: 543.571
• UNII: 338LTB451D
• DSSTox Substance ID: DTXSID40161326
• Nikkaji Number: J16.359G
• Wikidata: Q27155642
• Metabolomics Workbench ID: 143935
• Mol file: 1404-52-0.mol

Synonyms:Rhodomycin B;Betaclamycin T;beta-Rhodomycin I;beta-Rhodomycin 1;1404-52-0;beta-Rhodomycin;BRN 0073612;UNII-338LTB451D;338LTB451D;4-18-00-07401 (Beilstein Handbook Reference);ANTIBIOTIC BA 32C;RHODOMYCIN B [MI];.BETA.-RHODOMYCIN 1;CHEBI:81879;DTXSID40161326;C28H33NO10;(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione;LS-143710;C18642;Q27155642;(7S,9R,10R)-13-DEOXO-10-HYDROXYCARMINOMCYIN;5,12-NAPHTHACENEDIONE, 8-ETHYL-7,8,9,10-TETRAHYDRO-1,6,7,8,11-PENTAHYDROXY-10-((2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, (7R,8R,10S)-

Chemical Property of Rhodomycin B

Chemical Property:

• Vapor Pressure: 1.32E-21mmHg at 25°C
• Boiling Point: 717.5°Cat760mmHg
• Flash Point: 387.7°C
• PSA: 177.22000
• Density: 1.61g/cm³
• LogP: 1.64070
• XLogP3: 2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 543.21044625
• Heavy Atom Count: 39
• Complexity: 947

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N(C)C)O
• Isomeric SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O