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Palatinose

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Name

Palatinose

EINECS 261-150-2
CAS No. 58166-27-1 Density 1.77 g/cm3
Solubility Melting Point 125-128 °C
Formula C12H22O11 Boiling Point 684.1 °C at 760 mmHg
Molecular Weight 342.30 Flash Point 367.5 °C
Transport Information Appearance white to light yellow fine crystalline powder
Safety 24/25 Risk Codes
Molecular Structure Molecular Structure of 58166-27-1 (a-D-Fructofuranose, 6-O-a-D-glucopyranosyl-) Hazard Symbols
Synonyms

6-O-A-D-GLC-D-FRU;Isomaltulose;

 

Palatinose Specification

The Palatinose is an organic compound with the formula C12H22O11. The IUPAC name of this chemical is (2R,4S,6S)-2-(hydroxymethyl)-6-[[(2R,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol. With the CAS registry number 58166-27-1, it is also named as 6-O-α-D-glucopyranosyl-α-D-fructofuranose. Besides, it is a white to light yellow fine crystalline powder, which should be stored in a closed cool and dry place.

Physical properties about Palatinose are: (1)ACD/LogP: -3.15; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.15; (4)ACD/LogD (pH 7.4): -3.15; (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: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 101.53 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 70.85 cm3; (15)Molar Volume: 192.8 cm3; (16)Polarizability: 28.09×10-24cm3; (17)Surface Tension: 113 dyne/cm; (18)Density: 1.77 g/cm3; (19)Flash Point: 367.5 °C; (20)Enthalpy of Vaporization: 114.77 kJ/mol; (21)Boiling Point: 684.1 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1[C@H](O)[C@H](O[C@@]1(O)CO)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
(2)InChI: InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
(3)InChIKey: PVXPPJIGRGXGCY-DJHAAKORBO
(4)Std. InChI: InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
(5)Std. InChIKey: PVXPPJIGRGXGCY-DJHAAKORSA-N

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