1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride


Chemical Name: 1-Benzopyrylium,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
CAS Number: 18719-76-1
Product Number: AG00APGK(AGN-PC-0QGBGE)
Synonyms:
MDL No:
Molecular Formula: C27H31ClO15
Molecular Weight: 630.9790

Identification/Properties


Computed Properties
Molecular Weight:
630.98g/mol
Hydrogen Bond Donor Count:
10
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
6
Exact Mass:
630.135g/mol
Monoisotopic Mass:
630.135g/mol
Topological Polar Surface Area:
240A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
883
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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