Mizoribine

The CAS registry number of Mizoribine is 50924-49-7. The IUPAC name is 5-hydroxy-1-(β-D-ribofuranosyl)-1H-imidazole-4-carboxamide. In addition, the molecular formula is C₉H₁₃N₃O₆ and the molecular weight is 259.216. It is a kind of crystalline solid and belongs to the classes of Bases; Related Reagents; Carbohydrates; Derivatives; Intermediates; Fine Chemicals; Nucleotides; Pharmaceuticals. What's more, it can be used as an immunosuppresive drug, first isolated from the mould Eupenicillium brefeldianum.

Physical properties about this chemical are: (1)ACD/LogP: -2.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.27; (4)ACD/LogD (pH 7.4): -2.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 84.28 Å²; (13)Index of Refraction: 1.794; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 125.7 cm³; (16)Polarizability: 21.2 ×10^-24cm³; (17)Surface Tension: 103.2 dyne/cm; (18)Density: 2.06 g/cm³; (19)Flash Point: 410.9 °C; (20)Enthalpy of Vaporization: 115.56 kJ/mol; (21)Boiling Point: 755.9 °C at 760 mmHg; (22)Vapour Pressure: 5.2E-24 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It may cause heritable genetic damage, cause harm to the unborn child and may impair fertility. It is irritating to eyes, respiratory system and skin. You should avoid exposure - obtain special instructions before using it and should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ncn(c1O)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO)N
(2)InChI: InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
(3)InChIKey: HZQDCMWJEBCWBR-UUOKFMHZBU

The toxicity data is as follows: