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    Technical details about Combretastatin A1 Diphosphate, learn more about the structure, uses, toxicity, action, side effects and more

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    Combretastatin A1 Diphosphate

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: Oxi-4503 dipotassium, Q9f7qeh36f, Combretastatin a-1 bis(phosphate) dipotassium salt, 1,2-benzenediol, 3-methoxy-6-((1z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, 1,2-bis(dihydrogen phosphate), potassium salt (1:2), 1014615-46-3, Unii-q9f7qeh36f
    Molecular Formula
    C18H20K2O12P2
    Molecular Weight
    568.5  g/mol
    InChI Key
    IQYUGENRXZHYER-XNOMRPDFSA-L
    FDA UNII
    Q9F7QEH36F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dipotassium;[2-[hydroxy(oxido)phosphoryl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] hydrogen phosphate
    2.1.2 InChI
    InChI=1S/C18H22O12P2.2K/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3;;/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/b6-5-;;
    2.1.3 InChI Key
    IQYUGENRXZHYER-XNOMRPDFSA-L
    2.1.4 Canonical SMILES
    COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)[O-])OP(=O)(O)[O-].[K+].[K+]
    2.1.5 Isomeric SMILES
    COC1=C(C(=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)[O-])OP(=O)(O)[O-].[K+].[K+]
    2.2 Other Identifiers
    2.2.1 UNII
    Q9F7QEH36F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Oxi-4503 Dipotassium

    2. Q9f7qeh36f

    3. Combretastatin A-1 Bis(phosphate) Dipotassium Salt

    4. 1,2-benzenediol, 3-methoxy-6-((1z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, 1,2-bis(dihydrogen Phosphate), Potassium Salt (1:2)

    5. 1014615-46-3

    6. Unii-q9f7qeh36f

    7. Q27287150

    2.4 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 568.5 g/mol
    Molecular Formula C18H20K2O12P2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count10
    Exact Mass567.9704130 g/mol
    Monoisotopic Mass567.9704130 g/mol
    Topological Polar Surface Area176 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity688
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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