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    FM140061

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: (4-nitrophenyl)methyl (4r,5r,6s)-3-((diphenoxyphosphinyl)oxy)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate, (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, (4-nitrophenyl)methyl (4r,5r,6s)-3-[(diphenoxyphosphinyl)oxy]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, 618-646-2, 90776-59-3, Beta-methyl vinyl phosphate
    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
    2.2 Other Identifiers
    2.2.1 UNII
    0O0V6A80W3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

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

    2. (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

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

    4. 618-646-2

    5. 90776-59-3

    6. Beta-methyl Vinyl Phosphate

    7. (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

    8. Beta-methyl Vinyl Phosphate (map)

    9. 1233517-79-7

    10. (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

    11. 0o0v6a80w3

    12. (4r5r6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    13. 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

    14. 4-nitrobenzyl (4r,5s,6s)-3-[(diphenylphosphono)oxy]-6-[(r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyc

    15. 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

    16. Mfcd01318092

    17. 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)-

    18. 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

    19. 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

    20. Schembl337697

    21. Unii-0o0v6a80w3

    22. ?-methyl Vinyl Phosphate (map)

    23. Dtxsid00437857

    24. Ac-375

    25. Akos015919508

    26. Akos025395653

    27. Ds-1598

    28. 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

    29. Fm140061

    30. Cs-0145362

    31. D78320

    32. En300-19777076

    33. Z3234911345

    34. (4r Pound Not5r Pound Not6s)-4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

    35. (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

    36. (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

    37. 4-nitrobenzyl (4r,5r,6s)-3-[(diphenylphosphono)oxy]-6-[(r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylat E

    38. 4-nitrobenzyl-(1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-2-[(diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylic Acid

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

    40. 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

    41. 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

    42. 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 Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area157
    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