Formula of Alpha-lactose (C12H22O11)
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Chemical Formula | C12H22O11 |
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Molecular Weight | 342.29648 g/mol |
IUPAC Name | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol |
SMILES String | OCC2OC(OC1C(CO)OC(O)C(O)C1O)C(O)C(O)C2O |
InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 |
InChIKey | GUBGYTABKSRVRQ-XLOQQCSPSA-N |
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Chemical Formula Description
The alpha-lactose molecule contains a total of 45 atom(s). There are 22 Hydrogen atom(s), 12 Carbon atom(s), and 11 Oxygen atom(s). A chemical formula of alpha-lactose can therefore be written as:
C12H22O11
The chemical formula of alpha-lactose shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Alpha-lactose Molecule
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Structure Data File (SDF/MOL File) of alpha-lactose
The structure data file (SDF/MOL File) of alpha-lactose is available for download in the SDF page of alpha-lactose providing the information about the atoms, bonds, connectivity and coordinates of alpha-lactose, which is not completely available in the chemical formula representation. The alpha-lactose structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of alpha-lactose
The chemical structure image of alpha-lactose is available in chemical structure page of alpha-lactose, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of alpha-lactose and the chemical bonds that hold the atoms together.
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Molecular weight of alpha-lactose
The molecular weight of alpha-lactose is available in molecular weight page of alpha-lactose, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of alpha-lactose.
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InChI (IUPAC International Chemical Identifier) information of alpha-lactose
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of alpha-lactose is:
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
It can provide a standard way to encode the molecular information of alpha-lactose to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of alpha-lactose is:
InChIKey=GUBGYTABKSRVRQ-XLOQQCSPSA-N
The InChIKey may allow easier web searches for alpha-lactose, but it needs to be linked to the full InChI to get back to the original structure of the alpha-lactose since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of alpha-lactose
The alpha-lactose compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of alpha-lactose including the registry numbers is given below, if available:
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- WURCS=1.0/2,1/[12112h|1,5][22122h|1,5]1+1,2+4
- 1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranose
- L0008
- D-Glucose, 4-O- beta-D-galactopyranosyl-
- alpha-4-(beta-D-Galactosido)-D-glucose
- beta-D-Galp-(1->4)-alpha-D-Glcp
- 6136AH
- beta-D-Gal-(1->4)-alpha-D-Glc
- Pharmakon1600-01301020
- HMDB00186
- Lactosehydrate (alpha-form)
- bmse000938
- bmse000813
- bmse000065
- MJF4JAT10B
- 4-O-Hexopyranosylhexose
- 3i8t
- 3ap4
- 2y9g
- Respitose SV 003
- Respitose ML 003
- Pharmatose DCL 15
- D-Glucose, 4-O-.beta.-D-galactopyranosyl-
- Sorbolac 400
- Lactohale 300
- 4ouj
- Lactose anhydride
- lactose,anhydrous
- alpha-D-lactose
- Spherolac
- Sachelac
- Prismalac
- LBT
- Lactin (carbohydrate)
- D-(+)-Lactose
- Pharmatosa DCL 21
- Flowlac 100
- Sorbalac 400
- Pharmatose 325M
- Tablettose 80
- Tablettose 70
- Pharmatose 21
- Lactose Fast-flo
- Fast-flo Lactose
- Zeparox EP
- Super-Tab
- Lactose anhydrous
- Saccharum lactin
- beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose
- Lactin
- Tablettose
- Osmolactan
- Galactinum
- alpha-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-
- (+)-Lactose
- 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose
- GLC-(4-1)GAL
- Lactobiose
- Aletobiose
- 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose
- Milk sugar
- Respitose
- 14641-93-1
- a-Lactose
- Dilactose
- Anhydrous lactose
- lactose
- alpha-lactose
- Granulac 140M
Alpha-lactose Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of alpha-lactose? |
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C12H22O11 |
How many atoms and what are they in the alpha-lactose structure? |
45 atom(s) - 22 Hydrogen atom(s), 12 Carbon atom(s), and 11 Oxygen atom(s) |
How many chemical bonds and what are they in the alpha-lactose structure? |
46 bond(s) - 24 non-H bond(s), 4 rotatable bond(s), 2 six-membered ring(s), 8 hydroxyl group(s), 2 primary alcohol(s), 5 secondary alcohol(s), and 3 ether(s) (aliphatic) |
What’s the molecular weight of alpha-lactose? |
342.29648 g/mol |
What’s the SMILES string of alpha-lactose? |
OCC2OC(OC1C(CO)OC(O)C(O)C1O)C(O)C(O)C2O |
What’s the InChI of alpha-lactose? |
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 |
What’s the InChIKey of alpha-lactose? |
GUBGYTABKSRVRQ-XLOQQCSPSA-N |