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    Beta-Methyl Vinyl Phosphate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 338Xls

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    2D Structure
    Also known as: 90776-59-3, Beta-methyl vinyl phosphate (map), (4-nitrophenyl)methyl (4r,5r,6s)-3-diphenoxyphosphoryloxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (4r,5r,6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, 1233517-79-7, 0o0v6a80w3
    Molecular Formula
    C29H27N2O10P
    Molecular Weight
    594.5  g/mol
    InChI Key
    STULDTCHQXVRIX-PIYXRGFCSA-N
    FDA UNII
    0O0V6A80W3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C29H27N2O10P/c1-18-25-24(19(2)32)28(33)30(25)26(29(34)38-17-20-13-15-21(16-14-20)31(35)36)27(18)41-42(37,39-22-9-5-3-6-10-22)40-23-11-7-4-8-12-23/h3-16,18-19,24-25,32H,17H2,1-2H3/t18-,19-,24-,25-/m1/s1
    2.1.3 InChI Key
    STULDTCHQXVRIX-PIYXRGFCSA-N
    2.1.4 Canonical SMILES
    CC1C2C(C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O
    2.2 Other Identifiers
    2.2.1 UNII
    0O0V6A80W3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 90776-59-3

    2. Beta-methyl Vinyl Phosphate (map)

    3. (4-nitrophenyl)methyl (4r,5r,6s)-3-diphenoxyphosphoryloxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    4. (4r,5r,6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    5. 1233517-79-7

    6. 0o0v6a80w3

    7. (4r,5r,6s)-4-nitrobenzyl 3-(diphenoxyphosphoryloxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    8. 4-nitrobenzyl (4r,5r,6s)-3-[(diphenoxyphosphoryl)oxy]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    9. 4-nitrobenzyl (4r,5s,6s)-3-[(diphenylphosphono)oxy]-6-[(r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyc

    10. 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylicacid,3-((diphenoxyphosphinyl)oxy)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-,(4-nitrophenyl)methyl Ester,(4r,5r,6s)-

    11. 3-(diphenoxy-phosphoryloxy)-6-(1-hydroxy-ethyl)-4-methyl-7-oxo-1-aza-bicyclo(3.2.0)hept-2-ene-2-carboxylic Acid 4-nitro-benzyl Ester

    12. 4-nitrobenzyl-(1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-2-[(diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylic Acid

    13. Rel-(4r,5r,6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    14. Mfcd01318092

    15. Beta-methyl Vinyl Phosphate(map)

    16. Schembl337697

    17. Unii-0o0v6a80w3

    18. Dtxsid00437857

    19. Act02863

    20. Ac-375

    21. Zinc59796878

    22. Akos015919508

    23. Akos025395653

    24. Ds-1598

    25. (4-nitrophenyl)methyl (4r,5r,6s)-3-[(diphenoxyphosphoryl)oxy]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    26. 4-nitrobenzyl (4r,5r,6s)-3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    27. 4-nitrobenzyl (4r,5s,6s)-3-[(diphenylphosphono)oxy]-6-[(r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    28. Cs-0145362

    29. D78320

    30. 776m593

    31. A909781

    32. Q-101266

    33. (4r,5r)-4alpha-methyl-6beta-[(r)-1-hydroxyethyl]-3-(diphenoxyphosphinyloxy)-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic Acid 4-nitrobenzyl Ester

    34. (4r,5r,6s)-4-nitrobzl 3-(diphenoxyphosphoryloxy)-6-((r)-1-oh-et)-4-me-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    35. (4r,5s,6s)-3-(diphenyloxy)phosphoryloxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate

    36. (4r??5r??6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    37. (4r5r6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    38. 4-nitrobenzyl (4r,5s,6s)-3-(diphenyloxy)phosphoryloxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate

    39. 4-nitrobenzyl-(1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-2[(diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylic Acid

    40. P-nitrobenzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-2-[(diphenylphosphono)oxy]-1-methylcarbapen-2em-3-carboxylate

    41. P-nitrobenzyl (4r,5r,6s)-3-diphenylphosphoryloxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    42. P-nitrobenzyl(1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-2- [(diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylate

    43. Rel-(4r,5r,6s)-4-nitrobenzyl3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 594.5 g/mol
    Molecular Formula C29H27N2O10P
    XLogP34.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass594.14033206 g/mol
    Monoisotopic Mass594.14033206 g/mol
    Topological Polar Surface Area157 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1