6'-O-beta-D-Apiofuranosylsweroside

Base Information

• Chemical Name: 6'-O-beta-D-Apiofuranosylsweroside
• CAS No.: 266678-59-5
• Molecular Formula: C21H30O13
• Molecular Weight: 490.46
• DSSTox Substance ID: DTXSID001345734
• Nikkaji Number: J1.290.350B
• Wikidata: Q105132061
• Mol file: 266678-59-5.mol

Synonyms:266678-59-5;6'-O-beta-D-Apiofuranosylsweroside;Sweroside, 6'-O-beta-D-apiofuranosyl-;6'-O-|A-Apiofuranosylsweroside;6'-O-beta-Apiofuranosylsweroside;(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one;6-O-ss-D-Apiofuranosylsweroside;6'-O-??-Apiofuranosylsweroside;DTXSID001345734;HY-N5094;AKOS040760240;Sweroside,6'-O-beta-D-apiofuranosyl-;FS-7106;NCGC00347644-02;CS-0032413

Chemical Property of 6'-O-beta-D-Apiofuranosylsweroside

Chemical Property:

• Boiling Point: 800.2±65.0 °C(Predicted)
• PKA: 12.76±0.70(Predicted)
• PSA: 193.83000
• Density: 1.57±0.1 g/cm3(Predicted)
• LogP: -3.12670
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 490.16864101
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

90% ^*data from raw suppliers

6'-O-beta-D-Apiofuranosylsweroside ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O
• Isomeric SMILES: C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O