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7-Oxabicyclo[4.1.0]heptane-2-propanoicacid, a-amino-5-oxo-, (aS,1R,2S,6R)- | 28978-07-6
28978-07-6

Product name:7-Oxabicyclo[4.1.0]heptane-2-propanoicacid, a-amino-5-oxo-, (aS,1R,2S,6R)-

CAS No:28978-07-6
MF:C9H13NO4
MW:199.20382
CID:268999
PubChem ID:11769495
Names and Identifiers
  • 7-Oxabicyclo[4.1.0]heptane-2-propanoicacid, a-amino-5-oxo-, (aS,1R,2S,6R)-
  • (2S)-2-amino-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
  • 3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-l-alanine
  • AC1L2IET
  • AC1Q5QJB
  • Anticapsin
  • AR-1F0373
  • CTK4G2515
  • NSC177854
  • C20941
  • 7-OXABICYCLO(4.1.0)HEPTANE-2-PROPANOIC ACID, .ALPHA.-AMINO-5-OXO-, (.ALPHA.S,1R,2S,6R)-
  • UNII-75PQ0DZ8R2
  • (2S)-2-amino-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
  • 28978-07-6
  • 75PQ0DZ8R2
  • (2S)-2-amino-3-[(1R, 2S, 6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
  • NSC-177854
  • CHEBI:85005
  • Q27158272
  • 7-Oxabicyclo(4.1.0)heptane-2-propanoic acid, alpha-amino-5-oxo-, (1R-(1alpha,2beta(S*),6alpha))-
  • 7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, alpha-amino-5-oxo-, (alphaS,1R,2S,6R)-
  • NSC 177854
  • DTXSID801318391
  • 3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
  • 7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, [1R-[1.alpha.,2.alpha.(S*),6.alpha.]]-
  • 7-Oxabicyclo[4.1.0]heptane-2-propanoic acid, (1R-(1.alpha.,2.alpha.(S*),6.alpha.))-
  • KHVZXXWDPSCGEK-ROHCDXGRSA-N
  • AKOS006327913
  • InChIKey:KHVZXXWDPSCGEK-ROHCDXGRSA-N
  • Inchi:InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5+,7-,8+/m1/s1
  • SMILES:OC([C@H](C[C@H]1CCC(=O)[C@@H]2O[C@H]12)N)=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 199.08449
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 3
  • Monoisotopic Mass: 199.084
  • Heavy Atom Count: 14
  • Complexity: 278
  • 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
  • XLogP3: -3.1
  • Topological Polar Surface Area: 92.9A^2

Experimental Properties

  • LogP: 0.23520
  • PSA: 92.92
  • Refractive Index: 1.551
  • Boiling Point: 415.9°C at 760 mmHg
  • Flash Point: 205.3°C
  • Density: 1.368
Related Literature
Price Data Available
Brand:chemenuSupplier:Chemenu
No.PurityStockSpecificationPriceupdate timeoperate
CM573540-1g95%+1-2 Weeks1g$1372007 Mar. 2023
CM573540-100mg95%+1-2 Weeks100mg$490007 Mar. 2023
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