chempirical

Pyrroloquinolinequinone disodium salt

C14H4N2Na2O8CAS 122628-50-6374.17 g/mol

Open in Covalent MOL file
O−OO−ONOOOHOHNNa+Na+
Carboxylic acidKetone

Properties

Molecular formula
C14H4N2Na2O8
Molar mass
374.17 g/mol
Exact mass
373.9763 Da
logP
-0.21Crippen estimate
Polar surface area
174.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3

Identifiers

CAS number
122628-50-6
SMILES
[O-]C(=O)c1cc(C([O-])=O)c-2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c21.[Na+].[Na+]
InChIKey
MKPHMOAXBWUCGG-UHFFFAOYSA-N
InChI
InChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1H-Pyrrolo[2,3-F]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, sodium salt (1:2)
  • 1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, disodium salt
  • BioPQQ

Work with Pyrroloquinolinequinone disodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyrroloquinoline quinone72909-34-369 % similar 4-Chlorophthalic acid monosodium salt56047-23-536 % similar Magnesium orotate34717-03-831 % similar Potassium phthalate29801-94-330 % similar Potassium hydrogen phthalate877-24-730 % similar Chelidamic acid138-60-330 % similar 5-Sodiosulfoisophthalic acid6362-79-430 % similar 5-Sulfoisophthalic acid sodium salt7800-91-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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