ALLOXANTIN

The [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-, with the CAS registry number 76-24-4, is also known as 5,5'-Dihydroxy-5,5'-bipyrimidine-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone. It belongs to the product category of Substrates. Its EINECS registry number is 200-947-1. This chemical's molecular formula is C₈H₆N₄O₈ and molecular weight is 286.16. What's more, its IUPAC name is called 5-Hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione. It can be used to verify and decide the element of iron.

Physical properties about [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 133.84 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 52.1 cm³; (15)Molar Volume: 140.5 cm³; (16)Surface Tension: 116.8 dyne/cm; (17)Density: 2.036 g/cm³; (18)Melting point: 250 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NC(=O)NC(=O)C1(O)C2(O)C(=O)NC(=O)NC2=O
(2) InChI: InChI=1/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18)
(3) InChIKey: IWDDXZKCDHOOSF-UHFFFAOYAK