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72561-26-3

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Basic Information
CAS No.: 72561-26-3
Name: 2-DEOXY-D-GLUCOSE-1-14C
Molecular Structure:
Molecular Structure of 72561-26-3 (2-DEOXY-D-GLUCOSE-1-14C)
Formula: C6H12O5
Molecular Weight: 166.147
Synonyms: 2-Deoxy-D-1-14C-glucose;[14C]-2-Deoxyglucose;2-Deoxy-D-glucose-1-14C;2-deoxy-D-arabino-hex-1-enitol;
Density: 1.494 g/cm3
Melting Point: 152-154
Boiling Point: 522.3 °C at 760 mmHg
Flash Point: 274.2 °C
Appearance: White Crystalline Solid
Hazard Symbols: RadioactiveR; IrritantXi; FlammableF
Risk Codes: 36/37/38-11
Safety: 16-26-36
Transport Information: UN 2910 7
PSA: 97.99000
LogP: -2.34960
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Specification

The D-arabino-Hexose-1-14C,2-deoxy-, with the CAS registry number 72561-26-3, has the systematic name of 2-deoxy-D-arabino-hex-1-enitol. It is a kind of white crystalline solid, and belongs to the following product categories: Carbohydrates & Derivatives; Isotope Labeled Compounds. And the molecular formula of the chemical is C6H12O5. What's more, it should be stored at -20°C.

The characteristics of D-arabino-Hexose-1-14C,2-deoxy- are as followings: (1)ACD/LogP: -2.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -2.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1.66; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 109.8 cm3; (16)Polarizability: 14.84×10-24cm3; (17)Surface Tension: 85.3 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 274.2 °C; (20)Enthalpy of Vaporization: 91.56 kJ/mol; (21)Boiling Point: 522.3 °C at 760 mmHg; (22)Vapour Pressure: 4.32E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@H](/C=C\O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h1-2,4-11H,3H2/b2-1-/t4-,5-,6+/m1/s1
(3)InChIKey: MYGCFWRBKKQKCG-GBWOLBBFBM