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    Chemistry

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    Also known as: 9051-97-2, 9012-72-0, (2s,3r,4s,5r,6r)-2-[(2r,3r,4r,5s)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2s,3r,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol, .beta.-d-glucan, (1?3)-, Yg30829, B-d-glucan-from yeast (saccharomyces cerevisiae)
    Molecular Formula
    C18H32O14
    Molecular Weight
    472.4  g/mol
    InChI Key
    SPMCUTIDVYCGCK-IIIGWGBSSA-N
    Beta Glucan
    (2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-4-{[(2S,3R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,5-diol is a natural product found in Avena sativa with data available.
    1 2D Structure

    Beta Glucan

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
    2.1.2 InChI
    InChI=1S/C18H32O14/c19-2-9-6(22)1-7(23)17(29-9)32-16-13(26)11(4-21)30-18(14(16)27)31-15-8(24)5-28-10(3-20)12(15)25/h6-27H,1-5H2/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15+,16-,17-,18-/m0/s1
    2.1.3 InChI Key
    SPMCUTIDVYCGCK-IIIGWGBSSA-N
    2.1.4 Canonical SMILES
    C1C(C(OC(C1O)OC2C(C(OC(C2O)OC3C(COC(C3O)CO)O)CO)O)CO)O
    2.1.5 Isomeric SMILES
    C1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](CO[C@@H]([C@H]3O)CO)O)CO)O)CO)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 9051-97-2

    2. 9012-72-0

    3. (2s,3r,4s,5r,6r)-2-[(2r,3r,4r,5s)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2s,3r,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

    4. .beta.-d-glucan, (1?3)-

    5. Yg30829

    6. B-d-glucan-from Yeast (saccharomyces Cerevisiae)

    2.3 Create Date
    2013-05-17
    3 Chemical and Physical Properties
    Molecular Weight 472.4 g/mol
    Molecular Formula C18H32O14
    XLogP3-4.3
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count7
    Exact Mass472.17920569 g/mol
    Monoisotopic Mass472.17920569 g/mol
    Topological Polar Surface Area228 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity582
    Isotope Atom Count0
    Defined Atom Stereocenter Count13
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1714761000,"product":"AVENACARE CLASSIC (OAT BETA GLUCAN)","address":"C-10 KRISHANA REGENCY, OFF.S.V.RD.","city":"DER NAGAR,MALAD[W],MUMBAI","supplier":"LANTMANNEN BIOREFINERIES AB","supplierCountry":"SWEDEN","foreign_port":"STOCKHOLM - ARLANDA","customer":"SYNERCARE","customerCountry":"INDIA","quantity":"100.00","actualQuantity":"100","unit":"KGS","unitRateFc":"40.8","totalValueFC":"4123.7","currency":"USD","unitRateINR":"3437.3","date":"04-May-2024","totalValueINR":"343726.25","totalValueInUsd":"4123.7","indian_port":"Bombay Air","hs_no":"29163190","bill_no":"3338140","productDescription":"API","marketType":"REGULATED MARKET","country":"SWEDEN","selfForZScoreResived":"Pharma Grade","supplierPort":"STOCKHOLM - ARLANDA","supplierAddress":"LANTAMANNE N BIOREFINERIES ALVASVAGEN KIMSTAD,SDNF SWEDEN","customerAddress":"C-10 KRISHANA REGENCY, OFF.S.V.RD."},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1719599400,"product":"AVENACARE CLASSIC (OAT BETA GLUCAN)","address":"C-10 KRISHANA REGENCY, OFF.S.V.RD.","city":"DER NAGAR,MALAD[W],MUMBAI","supplier":"LANTMANNEN BIOREFINERIES AB","supplierCountry":"SWEDEN","foreign_port":"STOCKHOLM - ARLANDA","customer":"SYNERCARE","customerCountry":"INDIA","quantity":"100.00","actualQuantity":"100","unit":"KGS","unitRateFc":"40.8","totalValueFC":"4115.1","currency":"USD","unitRateINR":"3435.2","date":"29-Jun-2024","totalValueINR":"343522.5","totalValueInUsd":"4115.1","indian_port":"Bombay Air","hs_no":"29163190","bill_no":"4250411","productDescription":"API","marketType":"REGULATED MARKET","country":"SWEDEN","selfForZScoreResived":"Pharma Grade","supplierPort":"STOCKHOLM - ARLANDA","supplierAddress":"LANTAMANNEN BIOREFINERIES HANHOLMSVAGEN 69 602 38 NORRKOPINGSDNF SWEDEN","customerAddress":"C-10 KRISHANA REGENCY, OFF.S.V.RD."}]
    04-May-2024
    29-Jun-2024
    KGS
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