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    Also known as: 147867-65-0, Dspe-mpeg2000, Peg2000-dspe, 156543-00-9, Sodium;[(2r)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate, 247925-28-6
    Molecular Formula
    C45H87NNaO11P
    Molecular Weight
    872.1  g/mol
    InChI Key
    SRLOHQKOADWDBV-NRONOFSHSA-M
    MPEG2000-DSPE
    1 2D Structure

    MPEG2000-DSPE

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;[(2R)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate
    2.1.2 InChI
    InChI=1S/C45H88NO11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(47)54-40-42(41-56-58(50,51)55-37-36-46-45(49)53-39-38-52-3)57-44(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,46,49)(H,50,51);/q;+1/p-1/t42-;/m1./s1
    2.1.3 InChI Key
    SRLOHQKOADWDBV-NRONOFSHSA-M
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147867-65-0

    2. Dspe-mpeg2000

    3. Peg2000-dspe

    4. 156543-00-9

    5. Sodium;[(2r)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl Phosphate

    6. 247925-28-6

    7. Methyl-peg2000-dspe

    8. M-peg-dspe, Mw 550

    9. M-peg-dspe, Mw 1,000

    10. M-peg-dspe, Mw 2,000

    11. M-peg-dspe, Mw 5,000

    12. Bp-25268

    13. Bp-25269

    14. Bp-25271

    15. Bp-27962

    16. Hy-112760

    17. Cs-0063337

    2.2.2 Other Synonyms

    1. Mpeg2000-dspe

    2.3 Create Date
    2014-11-22
    3 Chemical and Physical Properties
    Molecular Weight 872.1 g/mol
    Molecular Formula C45H87NNaO11P
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count48
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area159
    Heavy Atom Count59
    Formal Charge0
    Complexity994
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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