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99212-30-3

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Basic Information
CAS No.: 99212-30-3
Name: DEOXYFUCONOJIRIMYCIN, HYDROCHLORIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 99212-30-3 (DEOXYFUCONOJIRIMYCIN, HYDROCHLORIDE)
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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Specification

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