CAS No.59920-31-9,2,5-DIDEOXY-2,5-IMINO-D-MANNITOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59920-31-9
Name:	2,5-DIDEOXY-2,5-IMINO-D-MANNITOL
Article Data:	26

Formula:	C₆H₁₃NO₄
Molecular Weight:	163.174
Synonyms:	2,5-Pyrrolidinedimethanol,3,4-dihydroxy-, [2R-(2a,3b,4a,5b)]-;2(R),5(R)-Bis(hydroxymethyl)-3(R),4(R)-dihydroxypyrrolidine;2,5-Dideoxy-2,5-imino-D-mannitol;DMDP;
EINECS:	232-889-8
Density:	1.408 g/cm³
Melting Point:	101-103 °C
Boiling Point:	395.9 °C at 760 mmHg
Flash Point:	221.9 °C
Appearance:	Off-White Solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	92.95000
LogP:	-2.63800

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Specification

The 2,5-Pyrrolidinedimethanol,3,4-dihydroxy-, (2R,3R,4R,5R)-, with the CAS registry number 59920-31-9, is also known as 2,5-Dideoxy-2,5-imino-D-mannitol. It belongs to the product categories of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; All Inhibitors; Glycosidase Inhibitors; Inhibitors. Its EINECS registry number is 232-889-8. This chemical's molecular formula is C₆H₁₃NO₄ and molecular weight is 163.17. What's more, its IUPAC name and systematic name are the same which is called (2R,3R,4R,5R)-2,5-Bis(hydroxymethyl)pyrrolidine-3,4-diol. Additionally, it should be preserved at 2-8 °C. This chemical is off-White solid and can be used as a glucosidase inhibitor.

Physical properties about 2,5-Pyrrolidinedimethanol,3,4-dihydroxy-, (2R,3R,4R,5R)-: (1)ACD/LogP: -2.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.26; (4)ACD/LogD (pH 7.4): -3.55; (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: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 40.16 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 37.43 cm³; (15)Molar Volume: 115.8 cm³; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.408 g/cm³; (18)Flash Point: 221.9 °C; (19)Enthalpy of Vaporization: 74.7 kJ/mol; (20)Boiling Point: 395.9 °C at 760 mmHg; (21)Vapour Pressure: 6.55E-08 mmHg at 25 °C; (22)Melting point: 101-103 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]1[C@H](N[C@H](CO)[C@H]1O)CO
(2) InChI: InChI=1/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
(3) InChIKey: PFYHYHZGDNWFIF-KVTDHHQDBR