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CAS No.: | 261728-61-4 |
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Name: | D-[1,2-13C2]GLUCOSE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H12O6 |
Molecular Weight: | 186.092 |
Synonyms: | D-[1,2-13C2]GLUCOSE |
Density: | 1.732 g/cm3 |
Boiling Point: | 410.797 °C at 760 mmHg |
Flash Point: | 202.243 °C |
PSA: | 110.38000 |
LogP: | -3.22140 |
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The a-D-Glucopyranose-1,2-13C2 (9CI), with the CAS registry number 261728-61-4, is also known a-Dextrose. This chemical's molecular formula is C6H12O6 and molecular weight is 180.1559. What's more, its systematic name is α-D-Glucopyranose
Physical properties about a-D-Glucopyranose-1,2-13C2 (9CI) are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.053; (5)ACD/KOC (pH 7.4): 1.053; (6)#H bond acceptors: 6; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 110.38 ?2; (10)Index of Refraction: 1.635; (11)Molar Refractivity: 37.254 cm3; (12)Molar Volume: 104.015 cm3; (13)Polarizability: 14.769×10-24cm3; (14)Surface Tension: 81.751 dyne/cm; (15)Density: 1.732 g/cm3; (16)Flash Point: 202.243 °C; (17)Enthalpy of Vaporization: 76.626 kJ/mol; (18)Boiling Point: 410.797 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)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
(3) InChIKey: WQZGKKKJIJFFOK-DVKNGEFBBQ