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| CAS No.: | 14999-43-0 |
|---|---|
| Name: | Glucosamine sulfate |
| Molecular Structure: | |
 |
|
| Formula: | 2(C6H13NO5).H2SO4 |
| Molecular Weight: | 456.42 |
| Synonyms: | Bis(2-ammonio-2-deoxy-D-glucose) sulphate;(2R,3R,4R,5S,6R)-3-Amino-6-(hydroxymethyl)oxane-2,4,5-triol; sulfuric acid;D-Glucose, 2-amino-2-deoxy-, sulfate (2:1); |
| EINECS: | 239-088-2 |
| Boiling Point: | 961.9 °C at 760 mmHg |
| Flash Point: | 535.5 °C |
| Appearance: | powder |
| PSA: | 315.32000 |
| LogP: | -4.68140 |
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Specification
The IUPAC name of Glucosamine sulfate is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; sulfuric acid. With the CAS registry number 14999-43-0, it is also named as bis(2-ammonio-2-deoxy-D-glucose) sulphate. In addition, its molecular formula is 2(C6H13NO5).H2SO4 and its molecular weight is 456.42. It is a powder which should be stored at 0-5 °C.
Physical properties about Glucosamine sulfate are: (1)# of Rule of 5 Violations:2; (2)#H bond acceptors:16; (3)#H bond donors:14; (4)#Freely Rotating Bonds:20; (5)Polar Surface Area:339.9 Å2; (6)Flash Point:535.5 °C; (7)Enthalpy of Vaporization:158.84 kJ/mol; (8)Boiling Point:961.9 °C at 760 mmHg; (9)Rotatable Bond Count: 2; (10)Exact Mass: 456.126124; (11)MonoIsotopic Mass: 456.126124; (12)Topological Polar Surface Area: 315; (13)Heavy Atom Count: 29; (14)Complexity: 236; (15)Defined Atom StereoCenter Count: 8; (16)Undefined Atom StereoCenter Count: 2; (17)Covalently-Bonded Unit Count: 3.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]([NH3+])C=O.[O-]S([O-])(=O)=O.[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)Std. InChI: InChI=1S/2C6H13NO5.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;(H2,1,2,3,4)/t2*3-,4+,5+,6+;/m00./s1
(3)Std. InChIKey: WLNBMPZUVDTASE-HXIISURNSA-N