3-O-alpha-mycarosylerythronolide B

Base Information

• Chemical Name: 3-O-alpha-mycarosylerythronolide B
• CAS No.: 34698-88-9
• Molecular Formula: C28H50O10
• Molecular Weight: 546.6906
• UNII: 8GRE3S9PDZ
• Nikkaji Number: J941.080E
• Wikidata: Q27103650
• Metabolomics Workbench ID: 51689
• ChEMBL ID: CHEMBL4468390

Synonyms:3-O-alpha-mycarosylerythronolide B;3-O-Mycarosylerythronolide B;CHEMBL4468390;3-alpha-L-Mycarosylerythronolide B;3-O-alpha-L-mycarosylerythronolide B;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione;34698-88-9;4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;3-alpha-mycarosylerythronolide B;NSC-209870;CHEBI:28343;alpha-L-mycarosyl erythronolide B;BDBM50535051;(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;C06630;Q27103650

Chemical Property of 3-O-alpha-mycarosylerythronolide B

Chemical Property:

• Vapor Pressure: 2.26E-22mmHg at 25°C
• Boiling Point: 695.5°C at 760 mmHg
• Flash Point: 218.3°C
• Density: 1.2g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 546.34039779
• Heavy Atom Count: 38
• Complexity: 822

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C
• Isomeric SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O)(C)O)C)C)O)C

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