chempirical

Pyrroloquinoline quinone

C14H6N2O8CAS 72909-34-3330.21 g/mol

Open in Covalent MOL file
OOHOHONOOOHOHN
Carboxylic acidKetone

Properties

Molecular formula
C14H6N2O8
Molar mass
330.21 g/mol
Exact mass
330.0124 Da
logP
0.55Crippen estimate
Polar surface area
174.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3

Identifiers

CAS number
72909-34-3
SMILES
O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2
InChIKey
MMXZSJMASHPLLR-UHFFFAOYSA-N
InChI
InChI=1S/C14H6N2O8/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

7 names
  • 1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-
  • 4,5-Dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
  • Methoxatine
  • Methoxatin
  • PQQ
  • Coenzyme PQQ
  • 2,7,9-Tricarboxy-4,5-dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline

Work with Pyrroloquinoline quinone

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

Pyrroloquinolinequinone disodium salt122628-50-669 % similar Pyrazole-3,5-dicarboxylic acid3112-31-038 % similar Chelidamic acid138-60-336 % similar 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-135 % similar 5-Chloro-1H-pyrrolo[2,3-C]pyridine-2-carboxylic acid800401-68-733 % similar Orotic acid65-86-133 % similar 2,5-Pyrazinedicarboxylic acid122-05-433 % similar Indole-2-carboxylic acid1477-50-532 % similar

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

Same formula

1,5-Dihydroxy-4,8-dinitro-9,10-anthracenedione128-91-6 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione81-55-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia