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D-Fructose, 3-O-a-D-glucopyranosyl- (547-25-1)

Identification
Name:D-Fructose, 3-O-a-D-glucopyranosyl-
Synonyms:Turanose(6CI,8CI);3-(a-D-Glucosido)-D-fructose;D-(+)-Turanose;D-Turanose;NSC 1222;
CAS:547-25-1
EINECS: 208-918-5
Molecular Formula: C12H22O11
Molecular Weight: 342.295
InChI: InChI=1/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
Molecular Structure: (C12H22O11) Turanose(6CI,8CI);3-(a-D-Glucosido)-D-fructose;D-(+)-Turanose;D-Turanose;NSC 1222;
Properties
Melting Point: 170 °C (dec.)(lit.)
Flash Point: 362.3°C
Boiling Point: 675.4°Cat760mmHg
Density:g/cm3
Refractive index:75.5 ° (C=4, H2O)
Solubility:H2O: 0.1 g/mL, clear, colorless
Appearance:white powder
Specification:

The D-Turanose, with the CAS registry number 547-25-1, is also known as 3-O-α-D-Glucopyranosyl-α-D-fructopyranose. It belongs to the product categories of Sugars, Carbohydrates & Glucosides; 13C & 2H Sugars; Basic Sugars (Mono & Oligosaccharides); Biochemistry; Disaccharides; Sugars; Carbohydrates & Derivatives. Its EINECS registry number is 208-918-5. This chemical's molecular formula is C12H22O11 and molecular weight is 342.30. Its IUPAC name is called (2S,3S,4S,5S)-2-(Hydroxymethyl)-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol. This chemical is white powder.

Physical properties about this chemical are: (1)ACD/LogP: -2.20; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 12; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 70.859 cm3; (14)Molar Volume: 192.83 cm3; (15)Surface Tension: 113.034 dyne/cm; (16)Density: 1.775 g/cm3; (17)Flash Point: 373.089 °C; (18)Enthalpy of Vaporization: 116.136 kJ/mol; (19)Boiling Point: 693.291 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. Besides, it is irritating to eyes, respiratory system and skin. You should be avoided contact it with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(C(C(O1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
(2)Isomeric SMILES: C1[C@@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O
(3)InChI: InChI=1S/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11+,12-/m0/s1
(4)InChIKey: SEWFWJUQVJHATO-MBJSLOGDSA-N

HS Code: 29400000
Flash Point: 362.3°C
Safety Data
 

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