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Chondroitin, hydrogen sulfate(CAS No. 9007-28-7)

Chondroitin, hydrogen sulfate H2O4S.xUnspecified (cas 9007-28-7) Molecular Structure

9007-28-7 Structure

Identification and Related Records

【Name】
Chondroitin, hydrogen sulfate
【CAS Registry number】
9007-28-7
【Synonyms】
Chondroitin polysulfate 30000
Chondroitin Sulfate (Bovine ,Shark) USP29
Chondroitin polysulfate 9000
Ch polysulfate 19000
Ch polysulfate
Chondroitin sulfate C EP5.0
Chonsurid
Chondroitin polysulfate 19000
Chondroitinsulfuric acids
Ch polysulfate 30000
Chondroitin sulphate, Glucosamine
chondroitin sulfate(bovine)
Chondroitin Sulfate (Bovine ,Shark,porcine ,chicken) USP30
chondroitin sulfate bovine
【EINECS(EC#)】
232-696-9
【Molecular Formula】
H2O4S.xUnspecified (Products with the same molecular formula)
【Molecular Weight】
463.36854
【Inchi】
InChI=1S/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
【InChIKey】
KXKPYJOVDUMHGS-OSRGNVMNSA-N
【Canonical SMILES】
CC(=O)NC1C(C(C(OC1O)OS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O
【Isomers smiles】
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@
H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Chemical and Physical Properties

【Appearance】
white or light yellow amorphous powder
【Water】
soluble in water, insoluble in organic solvents
【Solubilities】
soluble in water, insoluble in organic solvents
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:463.36854 [g/mol]
Molecular Formula:C13H21NO15S
XLogP3-AA:-4.8
H-Bond Donor:8
H-Bond Acceptor:15
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:463.06319
MonoIsotopic Mass:463.06319
Topological Polar Surface Area:267
Heavy Atom Count:30
Formal Charge:0
Complexity:739
Isotope Atom Count:0
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:14
Feature 3D Donor Count:6
Feature 3D Anion Count:2
Feature 3D Ring Count:2
Effective Rotor Count:9.4
Conformer Sampling RMSD:1
CID Conformer Count:100

Safety and Handling

【Safety】

Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of SOx.

【Transport】
25kgs
【Specification】

?Chondroitin sulfates (CAS NO.9007-28-7) is also named as Chondroitin polysulfate ; Chondroitin sulfates ; Chondroitin sulfuric acid ; Chondroitin sulphate ; Chonsurid ; UNII-6IC1M3OG5Z?; Chondroitin, hydrogen sulfate .?Chondroitin sulfates (CAS NO.9007-28-7) is white or light yellow amorphous powder. It is soluble in water, insoluble in organic solvents.

【Report】

Reported in EPA TSCA Inventory.

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