1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-


Chemical Name: 1-Propanone,1-[4-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-
CAS Number: 20702-77-6
Product Number: AG002ITV(AGN-PC-0QWCUQ)
Synonyms:
MDL No:
Molecular Formula: C28H36O15
Molecular Weight: 612.5764

Identification/Properties


Computed Properties
Molecular Weight:
612.581g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
10
Exact Mass:
612.205g/mol
Monoisotopic Mass:
612.205g/mol
Topological Polar Surface Area:
245A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
882
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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