3,11,12-Trideoxy-3,23-dioxo-5-O-[3-(dimethylamino)-3,4,6-trideoxy-beta-D-xylo-hexopyranosyl]-6-O-methyl-24-amino-12,11-(epoxymethanoimino)erythronolide A

Base Information

• Chemical Name: 3,11,12-Trideoxy-3,23-dioxo-5-O-[3-(dimethylamino)-3,4,6-trideoxy-beta-D-xylo-hexopyranosyl]-6-O-methyl-24-amino-12,11-(epoxymethanoimino)erythronolide A
• CAS No.: 172822-30-9
• Molecular Formula: C₃₁H₅₃N₃O₁₀
• Molecular Weight: 627.776
• Nikkaji Number: J748.967F
• ChEMBL ID: CHEMBL337171

Synonyms:CHEMBL337171;3,11,12-Trideoxy-3,23-dioxo-5-O-[3-(dimethylamino)-3,4,6-trideoxy-beta-D-xylo-hexopyranosyl]-6-O-methyl-24-amino-12,11-(epoxymethanoimino)erythronolide A

Chemical Property of 3,11,12-Trideoxy-3,23-dioxo-5-O-[3-(dimethylamino)-3,4,6-trideoxy-beta-D-xylo-hexopyranosyl]-6-O-methyl-24-amino-12,11-(epoxymethanoimino)erythronolide A

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 627.37309490
• Heavy Atom Count: 44
• Complexity: 1090

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MSDS Files:

Useful:

• Canonical SMILES: CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)N)C
• Isomeric SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)N)C

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