Chondroitin 4-sulfate

The Chondroitin 4-sulfate, with the CAS registry number 24967-93-9, is a kind of white or light yellow powder with no odour. This chemical is hygroscopic and easily soluble in water while insoluble in organic solvents such as ethanol, acetone and diethyl ether. Besides, its product categories are including natural plant extract. When comes to its usage, it is usually used to cure many diseases, such as coronary sclerosis, hyperlipaemia, stenocardia, myocardial ischemia and myocardial infarction and so on.

The characteristics of this chemical are as follows: (1)ACD/LogP: -3.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -8.69; (4)ACD/LogD (pH 7.4): -8.71; (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: 16; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 181.43; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 88.34 cm³; (15)Molar Volume: 238.8 cm³; (16)Polarizability: 35.02 ×10^-24 cm³; (17)Surface Tension: 119.7 dyne/cm; (18)Density: 1.94 g/cm³.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=S(=O)(O)O[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O
(2)InChI:InChI=1/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1 
(3)InChIKey:KXKPYJOVDUMHGS-OSRGNVMNBU

Below are the toxicity information of this chemical: