4-methyl-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one


Chemical Name: 4-methyl-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CAS Number: 18997-57-4
Product Number: AG002E7D(AGN-PC-00146C)
Synonyms:
MDL No: MFCD00063694
Molecular Formula: C16H18O8
Molecular Weight: 338.3093

Identification/Properties


Computed Properties
Molecular Weight:
338.312g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
3
Exact Mass:
338.1g/mol
Monoisotopic Mass:
338.1g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
506
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
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:
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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