W D-glycero-D-manno-2-Octulose Formula - C8H16O8 - Over 100 million chemical compounds | Mol-Instincts
Home Formula D-glycero-D-manno-2-Octulose

Formula of D-glycero-D-manno-2-Octulose (C8H16O8)

Identification of D-glycero-D-manno-2-Octulose Chemical Compound

2D chemical structure image of D-glycero-D-manno-2-Octulose
Chemical Formula C8H16O8
Molecular Weight 240.20784 g/mol
IUPAC Name (3S,4S,5R,6R,7R)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one
SMILES String OCC(O)C(O)C(O)C(O)C(O)C(=O)CO
InChI InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3,5-11,13-16H,1-2H2/t3-,5-,6-,7-,8-/m1/s1
InChIKey KSHYQYHHIKNYAY-PNAXYBNRSA-N

Chemical Formula Description

The D-glycero-D-manno-2-Octulose molecule contains a total of 32 atom(s). There are 16 Hydrogen atom(s), 8 Carbon atom(s) and 8 Oxygen atom(s). A chemical formula of D-glycero-D-manno-2-Octulose can therefore be written as:

C8H16O8

The chemical formula of D-glycero-D-manno-2-Octulose 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.

Ball-and-stick model of D-glycero-D-manno-2-Octulose
Ball-and-stick model of D-glycero-D-manno-2-Octulose




More Properties of D-glycero-D-manno-2-Octulose

For physicochemical, thermodynamic, and other property data & information, the followings are available from “ChemRTP”, a real-time chemical predictor based on an advanced QSPR:


Additional Information for Identifying D-glycero-D-manno-2-Octulose Molecule


  • InChI (IUPAC International Chemical Identifier) information of D-glycero-D-manno-2-Octulose

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of D-glycero-D-manno-2-Octulose is:

    InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3,5-11,13-16H,1-2H2/t3-,5-,6-,7-,8-/m1/s1

    It can provide a standard way to encode the molecular information of D-glycero-D-manno-2-Octulose 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 D-glycero-D-manno-2-Octulose is:

    InChIKey=KSHYQYHHIKNYAY-PNAXYBNRSA-N

    The InChIKey may allow easier web searches for D-glycero-D-manno-2-Octulose, but it needs to be linked to the full InChI to get back to the original structure of the D-glycero-D-manno-2-Octulose since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of D-glycero-D-manno-2-Octulose

    The D-glycero-D-manno-2-Octulose compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of D-glycero-D-manno-2-Octulose including the registry numbers is given below, if available:

    • 13111-79-0
    • D-glycero-D-manno-2-Octulose

Additional Outstanding Products

D-glycero-D-manno-2-Octulose Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of D-glycero-D-manno-2-Octulose?
C8H16O8
How many atoms and what are they in the D-glycero-D-manno-2-Octulose structure?
32 atom(s) - 16 Hydrogen atom(s), 8 Carbon atom(s) and 8 Oxygen atom(s)
How many chemical bonds and what are they in the D-glycero-D-manno-2-Octulose structure?
31 bond(s) - 15 non-H bond(s), 1 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 1 ketone(s) (aliphatic), 7 hydroxyl group(s), 2 primary alcohol(s) and 5 secondary alcohol(s)
What’s the molecular weight of D-glycero-D-manno-2-Octulose?
240.20784 g/mol
What’s the SMILES string of D-glycero-D-manno-2-Octulose?
OCC(O)C(O)C(O)C(O)C(O)C(=O)CO
What’s the InChI of D-glycero-D-manno-2-Octulose?
InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3,5-11,13-16H,1-2H2/t3-,5-,6-,7-,8-/m1/s1
What’s the InChIKey of D-glycero-D-manno-2-Octulose?
KSHYQYHHIKNYAY-PNAXYBNRSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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