FM140061

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8 Related Intermediates

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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

FM140061

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 Formula	C₂₉H₂₇N₂O₁₀P
Molecular Weight	594.5 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	157
Heavy Atom Count	42
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1