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CAS No.: | 14685-79-1 |
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Name: | 2-CHLORO-2-DEOXY-D-GLUCOSE |
Molecular Structure: | |
Formula: | C6H11ClO5 |
Molecular Weight: | 198.603 |
Synonyms: | 2-Chloro-2-deoxy-D-glucose;2-Deoxy-2-chloro-D-glucose; |
Density: | 1.553 g/cm3 |
Melting Point: | 135-136 °C |
Boiling Point: | 507 °C at 760 mmHg |
Flash Point: | 260.4 °C |
Appearance: | nearly colourless solid |
PSA: | 97.99000 |
LogP: | -2.13230 |
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This chemical is called D-Glucose, 2-chloro-2-deoxy-, and its systematic name is 2-Chloro-2-deoxy-D-glucose. With the molecular formula of C6H11ClO5, its CAS registry number is 14685-79-1. Additionally, it should be stored at the temperature of -20°C.
Other characteristics of the D-Glucose, 2-chloro-2-deoxy- can be summarised as followings: (1)ACD/LogP: -1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -1.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.23; (8)ACD/KOC (pH 7.4): 2.23; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 40.85 cm3; (15)Molar Volume: 127.8 cm3; (16)Polarizability: 16.19×10-24cm3; (17)Surface Tension: 73.8 dyne/cm; (18)Density: 1.553 g/cm3; (19)Flash Point: 260.4 °C; (20)Enthalpy of Vaporization: 89.46 kJ/mol; (21)Boiling Point: 507 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO
2.InChI: InChI=1/C6H11ClO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1
3.InChIKey: RBEGMPAFDRYYIG-SLPGGIOYBA