Rubinaphthin A

Base Information

• Chemical Name: Rubinaphthin A
• CAS No.: 448962-05-8
• Molecular Formula: C17H18O9
• Molecular Weight: 366.3
• DSSTox Substance ID: DTXSID201345942
• Nikkaji Number: J1.656.399D
• Wikidata: Q105252608
• Mol file: 448962-05-8.mol

Synonyms:Rubinaphthin A;448962-05-8;1-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid;1-Hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-naphthoic acid;MEGxp0_000739;ACon0_001460;ACon1_000703;DTXSID201345942;HY-N8024;AKOS040760681;NCGC00169441-01;CS-0139000

Chemical Property of Rubinaphthin A

Chemical Property:

• PKA: 2.79±0.30(Predicted)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 366.09508215
• Heavy Atom Count: 26
• Complexity: 501

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Rubinaphthin A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O