1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylicacid, 4,5-dihydro-4,5-dioxo- (72909-34-3)

The Pyrroloquinoline quinone with the cas number 72909-34-3 is also called 2,7,9-Tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-dione. The systematic name is 4,5-Dihydro-4,5-dioxo-1-H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid. This chemical belongs to the following product categories: (1)All Inhibitors; (2)Inhibitors. It should be stored at 2-8°C. It is orange-red solid. This chemical is a pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES.

The properties of the chemical are: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.73; (4)ACD/LogD (pH 7.4): -5.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors:  4  ; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 130.86 Å²; (13)Index of Refraction: 1.801; (14)Molar Refractivity: 71.98 cm³; (15)Molar Volume: 168.2 cm³; (16)Polarizability: 28.53×10^-24cm³; (17)Surface Tension: 134.8 dyne/cm; (18)Enthalpy of Vaporization: 155.84 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc23
(2)InChI: InChI=1/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)
(3)InChIKey: MMXZSJMASHPLLR-UHFFFAOYAP