CAS No.3615-56-3,D-(+)-SORBOSE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3615-56-3
Name:	D-(+)-SORBOSE
Article Data:	103

Formula:	C₆H₁₂O₆
Molecular Weight:	180.158
Synonyms:	Sorbose, D-(8CI);D-(+)-Sorbose;D-xylo-2-Hexulose;Sorbinose;
EINECS:	222-796-0
Density:	1.589 g/cm³
Melting Point:	163-165 °C
Boiling Point:	551.7 °C at 760 mmHg
Flash Point:	301.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	118.22000
LogP:	-3.37720

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Specification

The D-Sorbose with cas registry number of 3615-56-3, belongs to the following product categories: (1)Sugars, Carbohydrates & Glucosides; (2)Basic Sugars (Mono & Oligosaccharides); (3)Biochemistry; (4)Sorbose; (5)Sugars; (6)Carbohydrate Synthesis; (7)Carbohydrates; (8)Carbohydrates A to; (9)Carbohydrates P-ZBiochemicals and Reagents; (10)Monosaccharides; (11)MonosaccharideSpecialty Synthesis. And it has the systematic name of D-sorbose.

Physical properties about this chemical are: (1)ACD/LogP: -1.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 3.09; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 37.42 cm³; (15)Molar Volume: 113.3 cm³; (16)Polarizability: 14.83×10^-24cm³; (17)Surface Tension: 92.6 dyne/cm; (18)Enthalpy of Vaporization: 95.65 kJ/mol; (19)Vapour Pressure: 1.79E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The D-Sorbose irritates to eyes, respiratory system and skin. So avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([C@H](O)[C@@H](O)[C@H](O)CO)CO;
(2)InChI: InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1;
(3)InChIKey: BJHIKXHVCXFQLS-PYWDMBMJBD;
(4)Std. InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1;
(5)Std. InChIKey: BJHIKXHVCXFQLS-PYWDMBMJSA-N