(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate

Base Information

• Chemical Name: (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
• CAS No.: 77154-70-2
• Molecular Formula: C27H28O18
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20227914
• Wikidata: Q83107752
• Mol file: 77154-70-2.mol

Synonyms:77154-70-2;(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate;beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-beta-D-galactopyranosyl-;DTXSID20227914;C27H28O18;C27-H28-O18

Chemical Property of (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1001.7°C at 760 mmHg
• Flash Point: 330.1°C
• PSA: 306.73000
• Density: 1.95g/cm³
• LogP: -3.71380
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 7
• Exact Mass: 640.12756404
• Heavy Atom Count: 45
• Complexity: 1140

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2(C(C(C(OC2OC3C(C(C(C(O3)CO)O)O)O)(C(=O)OC4=COC5=C(C4=O)C=CC(=C5)O)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1[C@]2([C@H]([C@@H]([C@](O[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)(C(=O)OC4=COC5=C(C4=O)C=CC(=C5)O)O)O)O)O)O)O

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