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106032-61-5

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Basic Information
CAS No.: 106032-61-5
Name: D-GLUCOSE-1-D1
Article Data: 8
Molecular Structure:
Molecular Structure of 106032-61-5 (D-GLUCOSE-1-D1)
Formula: C6H11DO6
Molecular Weight: 181.15
Synonyms: D-GLUCOSE-1-D1;D-[1-2H]GLUCOSE;D-GLUCOSE-1-D;D-glucose-1-D 97 atom % D;dextrose-1-d1;D-Glucose-1-C-d
Density: 1.741 g/cm3
Melting Point: 150-152 °C(lit.)
Boiling Point: 410.8 °C at 760 mmHg
Flash Point: 202.2 °C
PSA: 110.38000
LogP: -3.22140
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Specification

This chemical is called D-Glucopyranose-1-C-d(9CI), and its systematic name is (3R,4S,5S,6R)-2-deuterio-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol. With the molecular formula of C6H11DO6, its molecular weight is 181.16. The CAS registry number of this chemical is 106032-61-5. Additionally, its product category is 13C & 2H Sugars. 

Other characteristics of the chemical can be summarised as followings: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 6; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 110.38 Å2; (6)Index of Refraction: 1.635; (7)Molar Refractivity: 37.25 cm3; (8)Molar Volume: 104 cm3; (9)Polarizability: 14.76×10-24 cm3; (10)Surface Tension: 81.7 dyne/cm; (11)Density: 1.741 g/cm3; (12)Flash Point: 202.2 °C; (13)Enthalpy of Vaporization: 76.63 kJ/mol; (14)Boiling Point: 410.8 °C at 760 mmHg; (15)Vapour Pressure: 1.83E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1([2H])O
2.InChI: InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6D
3.InChIKey: WQZGKKKJIJFFOK-QVTRYHEBFC
4.Std. InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6D
5.Std. InChIKey: WQZGKKKJIJFFOK-QVTRYHEBSA-N