Pseudohypericin


Chemical Name: Pseudohypericin
CAS Number: 55954-61-5
Product Number: AG00D7Z5(AGN-PC-0LPKGU)
Synonyms:
MDL No:
Molecular Formula: C30H16O9
Molecular Weight: 520.4426

Identification/Properties


Computed Properties
Molecular Weight:
520.449g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
1
Exact Mass:
520.079g/mol
Monoisotopic Mass:
520.079g/mol
Topological Polar Surface Area:
176A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
1190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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