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


Chemical Name: 4-methyl-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-one
CAS Number: 106488-05-5
Product Number: AG00JKJV(AGN-PC-04RMD5)
Synonyms:
MDL No:
Molecular Formula: C16H18O7
Molecular Weight: 322.30992

Identification/Properties


Computed Properties
Molecular Weight:
322.313g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
322.105g/mol
Monoisotopic Mass:
322.105g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
491
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

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NMR Spectrum


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