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CAS No.: | 99212-30-3 |
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Name: | DEOXYFUCONOJIRIMYCIN, HYDROCHLORIDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H14ClNO3 |
Molecular Weight: | 147.17 |
Synonyms: | 3,4,5-Piperidinetriol,2-methyl-, [2S-(2a,3a,4a,5b)]-;1,5-Dideoxy-1,5-imino-L-fucitol;1-Deoxyfuconojirimycin;Deoxyfuconojirimycin;L-fuco-Deoxynojirimycin; |
Density: | 1.297 g/cm3 |
Melting Point: | 155-157 °C |
Boiling Point: | 311.7 °C at 760 mmHg |
Flash Point: | 142.3 °C |
Appearance: | Tan Crystalline Solid |
PSA: | 72.72000 |
LogP: | -1.61040 |
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The 3,4,5-Piperidinetriol,2-methyl-, (2S,3R,4S,5R)- is an organic compound with the formula C6H14ClNO3. The systematic name of this chemical is (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol hydrochloride. With the CAS registry number 99212-30-3, it is also named as Deoxyfuconojirimycin HCl. The product's categories are Miscellaneous Natural Products; Pharmacetical; 13C & 2H Sugars; Carbohydrates & Derivatives; Glycosidase Inhibitors; Inhibitors.
Physical properties about 3,4,5-Piperidinetriol,2-methyl-, (2S,3R,4S,5R)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 72.72 Å2; (5)Flash Point: 142.3 °C; (6)Enthalpy of Vaporization: 64.08 kJ/mol; (7)Boiling Point: 311.7 °C at 760 mmHg; (8)Vapour Pressure: 4.9E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O[C@@H]1[C@H](C)NC[C@@H](O)[C@@H]1O
(2)InChI: InChI=1/C6H13NO3.ClH/c1-3-5(9)6(10)4(8)2-7-3;/h3-10H,2H2,1H3;1H/t3-,4+,5+,6-;/m0./s1
(3)InChIKey: SHSBWMUIVLOMIL-NQZVPSPJBV
(4)Std. InChI: InChI=1S/C6H13NO3.ClH/c1-3-5(9)6(10)4(8)2-7-3;/h3-10H,2H2,1H3;1H/t3-,4+,5+,6-;/m0./s1
(5)Std. InChIKey: SHSBWMUIVLOMIL-NQZVPSPJSA-N