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Chodroitin Sulfate

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Name

Chodroitin Sulfate

EINECS 246-551-2
CAS No. 24967-93-9 Density 1.94g/cm3
PSA 270.71000 LogP -3.45540
Solubility water: 0.1 g/mL, slightly hazy, faintly yellow Melting Point N/A
Formula (C14H21NO14S)n Boiling Point N/A
Molecular Weight 499.38 Flash Point N/A
Transport Information N/A Appearance White crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 24967-93-9 (Chondroitin 4-sulfate) Hazard Symbols N/A
Synonyms

Chondroitin sulfate A;Translagen;Chondroitin 4-sulfuric acid;Turkadon;Chondroitin sulfate A (JAN);Atheroitin;Chondroitin,4-(hydrogen sulfate);Chondranol;Chondroitinsulfuric acid A;Chondroitinsulfuric acids, type A (8CI);Chondroitin sulfate type A;Chondroitin Sulfate Salium;Chondroitin sulfate;Chondroitin 4-sulfate;

 

Chodroitin Sulfate Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 15gm/kg (15000mg/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 739, 1978.
mouse LD50 intravenous 1580mg/kg (1580mg/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 58, Pg. 739, 1978.

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