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    Sucrose Stearate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 104Xls

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    2D Structure
    Also known as: Sucrose, 1-stearate, 136152-91-5, 58rp7ju52k, [(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate, Unii-58rp7ju52k, 1-stearatesucrose
    Molecular Formula
    C30H56O12
    Molecular Weight
    608.8  g/mol
    InChI Key
    SZYSLWCAWVWFLT-UTGHZIEOSA-N
    FDA UNII
    58RP7JU52K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate
    2.1.2 InChI
    InChI=1S/C30H56O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-20-30(28(38)25(35)22(19-32)41-30)42-29-27(37)26(36)24(34)21(18-31)40-29/h21-22,24-29,31-32,34-38H,2-20H2,1H3/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
    2.1.3 InChI Key
    SZYSLWCAWVWFLT-UTGHZIEOSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC1(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    58RP7JU52K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sucrose Monostearate

    2.3.2 Depositor-Supplied Synonyms

    1. Sucrose, 1-stearate

    2. 136152-91-5

    3. 58rp7ju52k

    4. [(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl Octadecanoate

    5. Unii-58rp7ju52k

    6. 1-stearatesucrose

    7. Sucrose Stearate Ester

    8. Schembl16254

    9. Dtxsid60159700

    10. Alpha-d-glucopyranoside, 1-o-(1-oxooctadecyl)-beta-d-fructofuranosyl

    11. Mfcd00152822

    12. Sucrose Stearate - 70% Monostearate

    13. Zinc100061980

    14. Q27261613

    15. 1-o-stearoyl-beta-d-fructofuranosyl Alpha-d-glucopyranoside

    16. .alpha.-d-glucopyranoside, 1-o-(1-oxooctadecyl)-.beta.-d-fructofuranosyl

    17. ((2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)tetrahydrofuran-2-yl)methyl Stearate

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 608.8 g/mol
    Molecular Formula C30H56O12
    XLogP34.7
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count23
    Exact Mass608.37717722 g/mol
    Monoisotopic Mass608.37717722 g/mol
    Topological Polar Surface Area196 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity726
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1