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    Chemistry

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    Also known as:
    Molecular Formula
    C63H85N8O17+
    Molecular Weight
    1226.4  g/mol
    InChI Key
    LNFCWEXGZIEGJW-KUPVQNIQSA-O
    Rezafungin
    1 2D Structure

    Rezafungin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(3S,9S,11R,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethyl-trimethylazanium
    2.1.2 InChI
    InChI=1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49?,50-,51?,52-,53-,54-,55-,61+/m0/s1
    2.1.3 InChI Key
    LNFCWEXGZIEGJW-KUPVQNIQSA-O
    2.1.4 Canonical SMILES
    CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)OCC[N+](C)(C)C)O
    2.1.5 Isomeric SMILES
    CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]6C[C@H](CN6C(=O)C(NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)OCC[N+](C)(C)C)O
    2.2 Create Date
    2016-01-27
    3 Chemical and Physical Properties
    Molecular Weight 1226.4 g/mol
    Molecular Formula C63H85N8O17+
    XLogP32.9
    Hydrogen Bond Donor Count13
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count18
    Exact Mass1225.60326827 g/mol
    Monoisotopic Mass1225.60326827 g/mol
    Topological Polar Surface Area366 Ų
    Heavy Atom Count88
    Formal Charge1
    Complexity2300
    Isotope Atom Count0
    Defined Atom Stereocenter Count13
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q3","strtotime":1692815400,"product":"REZAFUNGIN ACETATE CAS NO 1396640-59-7","address":"SHOP-37, FIRST FLR. KAMLA BHAVAN IIS. NITYANAND RD, ANDHERI [E] ,","city":"MUMBAI","supplier":"ZHEJIANG HUIDA BIOTECH CO LIMITED","supplierCountry":"CHINA","foreign_port":"NA","customer":"GUFIC BIOSCIENCES","customerCountry":"INDIA","quantity":"0.10","actualQuantity":"100","unit":"GMS","unitRateFc":"320","totalValueFC":"32346.1","currency":"USD","unitRateINR":"26526.4","date":"24-Aug-2023","totalValueINR":"2679430.4","totalValueInUsd":"32346.1","indian_port":"SAHAR AIR","hs_no":"29419090","bill_no":"0","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"SHOP-37, FIRST FLR. KAMLA BHAVAN IIS. NITYANAND RD, ANDHERI [E] ,"}]
    24-Aug-2023
    24-Aug-2023
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