Isoglucosamine supplier | CasNO.27968-74-7

Name
beta-D-fructopyranosylamine
EINECS
CAS No. 27968-74-7
Density 1.585 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO₅
Boiling Point 406.9 °C at 760 mmHg
Molecular Weight 179.173
Flash Point 199.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoglucosamine;
PSA
LogP

Isoglucosamine Specification

The IUPAC name of Isoglucosamine is (2R,3S,4R,5R)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol. With the CAS registry number 27968-74-7, it is also named as Fructose, 1-amino-1-deoxy-. In addition, its molecular formula is C₆H₁₃NO₅ and molecular weight is 179.1711.

The other characteristics of Isoglucosamine can be summarized as: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -0.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.81; (8)ACD/KOC (pH 7.4): 7.6; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.39 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 39.12 cm³; (15)Molar Volume: 113 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 82.1 dyne/cm; (18)Density: 1.585 g/cm³; (19)Flash Point: 199.9 °C; (20)Enthalpy of Vaporization: 76.12 kJ/mol; (21)Boiling Point: 406.9 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O[C@@H]1[C@@](OC[C@@H](O)[C@H]1O)(N)CO
(2)InChI: InChI=1/C6H13NO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1
(3)InChIKey: XDWORWLCRZRAPV-ARQDHWQXBF

Product Name

beta-D-fructopyranosylamine

Isoglucosamine Specification

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