200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 147229-92-3
147229-92-3 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, phosphate, potassium salt (9CI)
CAS No: 147229-92-3 Catalog No: AG001EQ5 MDL No:
Product Description
Catalog Number:
AG001EQ5
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, phosphate, potassium salt (9CI)
CAS Number:
147229-92-3
Molecular Formula:
C15H10K3O11P
Molecular Weight:
514.5020
IUPAC Name:
dipotassium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrogen phosphate
InChI:
InChI=1S/C15H10O7.2K.H3O4P/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;;1-5(2,3)4/h1-5,16-19,21H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChI Key:
VSPITLIGLVGOGE-UHFFFAOYSA-L
SMILES:
[O-]P(=O)([O-])[O-].Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.[K+].[K+].[K+]
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.931g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
476.412g/mol
Monoisotopic Mass:
475.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.