D-Alanine, N-((5-((6-deoxy-3-O-(4-O-sulfo-beta-D-xylopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, disodium salt, (5S-trans)-

Base Information

• Chemical Name: D-Alanine, N-((5-((6-deoxy-3-O-(4-O-sulfo-beta-D-xylopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, disodium salt, (5S-trans)-
• CAS No.: 139501-89-6
• Molecular Formula: C39H39NNa2O22S
• Molecular Weight: 951.765
• Mol file: 139501-89-6.mol

Synonyms:Benanomicin A 4'''-sulfate;139501-89-6;D-Alanine, N-((5-((6-deoxy-3-O-(4-O-sulfo-beta-D-xylopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, disodium salt, (5S-trans)-;C39H39NO22S.2Na;C39-H39-N-O22-S.2Na

Chemical Property of D-Alanine, N-((5-((6-deoxy-3-O-(4-O-sulfo-beta-D-xylopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, disodium salt, (5S-trans)-

Chemical Property:

• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 8
• Exact Mass: 951.14798161
• Heavy Atom Count: 65
• Complexity: 1810

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)[O-])C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)OS(=O)(=O)[O-])O)O)O.[Na+].[Na+]