Isotopic Pattern of a Compound

Form for calculating the mass, the elementary as well as the isotopic, percentage composition of a molecule.

The calculation of the composition using the entered formula is based on the current values of the relative atomic weights and the isotope masses as well as the average isotopic abundances.

Data output for

C₆H₁₂O₆ - Number of elements involved: 3

Molecular weight:

The molar mass is M_r = 180.156 grams per mole (g mol^-3)

Percent composition:

Mass elemental composition of the compound C₆H₁₂O₆, calculated based on molecular weight.

AtomNumberElement
Atomic weight A_r*TotalPercentageC6Carbon
12.011 u
(12.0096 u to 12.0116 u)72.066 u40.002 %H12Hydrogen
1.008 u
(1.00784 u to 1.00811 u)12.096 u6.714 %O6Oxygen
15.999 u
(15.99903 u to 15.99977 u)95.994 u53.284 %

* Where appropriate, the relative standard atomic weight interval is given.

Further data

The amount of substance in one kilogram of the substance is n = 5.551 mol.

The amount of substance in one gram of the substance is n = 0.006 mol.

Isotopic Composition

Overview of the natural isotopes or nuclides involved in the chemical compound C₆H₁₂O₆

Monoisitopic mass: 180,0633881064 Da - related to ¹²C₆¹H₁₂¹⁶O₆.

Element
(Percentage)IsotopeName of IsotopeIsotopic mass
Half-life, (proportion of the element)Percentage
of the total massC
(40 %)¹²CCarbon-1212.00000000000 u
stable (98.94 %)39.57798 %¹⁴CCarbon-1414.003241988(4) u
5700(30) yearstraces¹³CCarbon-1313.003354835(2) u
stable (1.06 %)0.42402 %H
(6.71 %)³HHydrogen-33.01604928132(8) u
12.32(2) yearstraces¹HHydrogen-11.0078250322(6) u
stable (99.99 %)6.71351 %²HHydrogen-22.0141017781(8) u
stable (0.01 %)0.00067 %O
(53.28 %)¹⁶OOxygen-1615.994914620(2) u
stable (99.757 %)53.15434 %¹⁸OOxygen-1817.999159613(6) u
stable (0.205 %)0.10923 %¹⁷OOxygen-1716.999131757(5) u
stable (0.03835 %)0.02043 %

Note

This form calculates the percentage composition, the molecular mass (the molecular weight), the monoisotopic mass, the amount of substance per kilogram and the isotopic composition of a chemical compound with a given molecular formula; the latter corresponds to the natural isotope pattern.

The output values are 'raw values'. and should be truncated or rounded to a reasonable precision before use. This applies especially to the atomic weights, which are now also shown in intervals. The most recent values are used.

Only the formula without special characters, brackets, etc. is permitted here.

References:

[1] - Relative molecular mass, M_r:
Definition, IUPAC Gold Book, DOI 10.1351/goldbook.

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Last update: 2023-12-01

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