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63346-81-6

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Basic Information
CAS No.: 63346-81-6
Name: GLYCEROL-13C3
Molecular Structure:
Molecular Structure of 63346-81-6 (GLYCEROL-13C3)
Formula: C3H8O3
Molecular Weight: 95.0617
Synonyms: [1,2,3-13C3]Glycerol;Glycerol-13C3;Glycerol-13C3, 99 ATOM % 13C;
Density: 1.297 g/cm3
Melting Point: 20 °C(lit.)
Boiling Point: 182 °C(lit.)
Flash Point: 320 °F(lit.)
PSA: 60.69000
LogP: -1.66810
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    1,2,3-Propanetriol-1,2,3-13C3

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Specification

The CAS register number of 1,2,3-Propanetriol-1,2,3-13C3 is 63346-81-6. It also can be called as [1,2,3-13C3]Glycerol and the systematic name about this chemical is (~13~C_3_)propane-1,2,3-triol. The molecular formula about this chemical is C3H8O3 and the molecular weight is 95.12. It belongs to the following product categories which include Additional Labeled ProductsStable Isotopes; Biomolecular NMR; G-HStable Isotopes; Mass Spectrometry; Minimal Media; Proteomics Stable Isotope Labeling; Alphabetical Listings; Fatty AcidsStable Isotopes; G-H; Metabolic Research; Stable Isotopes and so on.

Physical properties about 1,2,3-Propanetriol-1,2,3-13C3 are: (1)Polar Surface Area: Å2; (2)Index of Refraction: 1.489; (3)Molar Refractivity: 20.51 cm3; (4)Molar Volume: 70.9 cm3; (5)Polarizability: 8.13x10-24cm3; (6)Surface Tension: 61.9 dyne/cm; (7)Density: 1.297 g/cm3.

Uses of 1,2,3-Propanetriol-1,2,3-13C3: it can be used to produce 1,3-Di-O-trityl(1,2,3-(13)C3)glycerol with chloro-triphenyl-methane. This reaction will need reagent of pyridine, DMAP and solvent of CH2Cl2. The reaction time is 18 hours with ambient temperature. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: C(C(CO)O)O
(2)InChI: InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1,3+1
(3)InChIKey: PEDCQBHIVMGVHV-VMIGTVKREZ
(4)Std. InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1,3+1
(5)Std. InChIKey: PEDCQBHIVMGVHV-VMIGTVKRSA-N