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| CAS No.: | 62502-71-0 |
|---|---|
| Name: | GLYCEROL-1,1,2,3,3-D5 |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C3H3D5O3 |
| Molecular Weight: | 97.055 |
| Synonyms: | Glycerol-d5; |
| Density: | 1.369 g/cm3 |
| Melting Point: | 20 °C(lit.) |
| Boiling Point: | 289.999 °C at 760 mmHg |
| Flash Point: | 160 °C |
| Appearance: | colorless liquid |
| PSA: | 60.69000 |
| LogP: | -1.66810 |
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- Total:10 Page 1 of 1 1
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Specification
This chemical is called 1,2,3-Propane-1,1,2,3,3-d5-triol, and its systematic name is (2H5)propane-1,2,3-triol. With the molecular formula of C3H3D5O3, its product categories are 13C & 2H Sugars; Fatty Acids; Metabolic Research; Stable Isotopes; Alphabetical Listings; Biomolecular NMR. The CAS registry number of this chemical is 62502-71-0. Additionally, this chemical should be sealed in the cool and dry place.
Other characteristics of the 1,2,3-Propane-1,1,2,3,3-d5-triol can be summarised as followings: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 60.69 Å2; (7)Index of Refraction: 1.49; (8)Molar Refractivity: 20.511 cm3; (9)Molar Volume: 70.95 cm3; (10)Polarizability: 8.131×10-24cm3; (11)Surface Tension: 61.991 dyne/cm; (12)Density: 1.369 g/cm3; (13)Flash Point: 160 °C; (14)Enthalpy of Vaporization: 61.422 kJ/mol; (15)Boiling Point: 289.999 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [2H]C(O)(C([2H])([2H])O)C([2H])([2H])O
2.InChI: InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1D2,2D2,3D
3.InChIKey: PEDCQBHIVMGVHV-UXXIZXEIEX