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    Nicotinamide Mononucleotide

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    $ API Ref.Price (USD/KG) : 97Xls

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    2D Structure
    Also known as: Nicotinamide mononucleotide, Nicotinamide ribotide, Nmn(+), 3-carbamoyl-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridinium, Nicotinamide ribonucleoside 5'-phosphate, Beta-delta-nmn
    Molecular Formula
    C11H16N2O8P+
    Molecular Weight
    335.23  g/mol
    InChI Key
    DAYLJWODMCOQEW-TURQNECASA-O
    3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    2.1.2 InChI
    InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
    2.1.3 InChI Key
    DAYLJWODMCOQEW-TURQNECASA-O
    2.1.4 Canonical SMILES
    C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
    2.1.5 Isomeric SMILES
    C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Mononucleotide, Nicotinamide

    2. Nicotinamide Mononucleotide

    2.2.2 Depositor-Supplied Synonyms

    1. Nicotinamide Mononucleotide

    2. Nicotinamide Ribotide

    3. Nmn(+)

    4. 3-carbamoyl-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridinium

    5. Nicotinamide Ribonucleoside 5'-phosphate

    6. Beta-delta-nmn

    7. B-nmn

    8. B-d-nmn

    9. Schembl6858129

    10. Chebi:14648

    11. Dtxsid401175036

    12. Zinc4228273

    13. S5259

    14. Q27108984

    15. 3-(aminocarbonyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridinium

    16. 3-carbamoyl-1-b-d-ribofuranosylpyridinium Hydroxide 5'-phosphate Inner Salt

    17. 3-(aminocarbonyl)-1-(5-o-phosphono-b-d-ribofuranosyl)-pyridinium Hydroxide Inner Salt

    18. 3-(aminocarbonyl)-1-(5-o-phosphono-b-d-ribofuranosyl)-pyridinium Inner Salt

    19. 3-(aminocarbonyl)-1-(5-o-phosphono-beta-delta-ribofuranosyl)-pyridinium Inner Salt

    20. 3-carbamoyl-1-beta-delta-ribofuranosylpyridinium Hydroxide 5'-phosphate Inner Salt

    21. 3-(aminocarbonyl)-1-(5-o-phosphono-beta-delta-ribofuranosyl)-pyridinium Hydroxide Inner Salt

    22. 75414-16-3

    2.3 Create Date
    2005-06-08
    3 Chemical and Physical Properties
    Molecular Weight 335.23 g/mol
    Molecular Formula C11H16N2O8P+
    XLogP3-3.4
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass335.06442747 g/mol
    Monoisotopic Mass335.06442747 g/mol
    Topological Polar Surface Area163 Ų
    Heavy Atom Count22
    Formal Charge1
    Complexity457
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1