Name: 2-CHLORO-2-DEOXY-D-GLUCOSE
SKU: 14685-79-1

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Basic Information

Molecular Structure:
CAS No.:	14685-79-1
Name:	2-CHLORO-2-DEOXY-D-GLUCOSE

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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Specification

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