Anticapsin
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Anticapsin
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CAS No:
28978-07-6
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Formula:
C9H13NO4
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Chemical Name:
Anticapsin
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Synonyms:
7-Oxabicyclo[4.1.0]heptane-2-propanoic acid,α-amino-5-oxo-,(αS,1R,2S,6R)-;7-Oxabicyclo[4.1.0]heptane-2-propionic acid,α-amino-5-oxo-,(αS,1R,2S,6R)-;7-Oxabicyclo[4.1.0]heptane-2-propanoic acid,α-amino-5-oxo-,[1R-[1α,2β(S*),6α]]-;(αS,1R,2S,6R)-α-Amino-5-oxo-7-oxabicyclo[4.1.0]heptane-2-propanoic acid;Anticapsin;α-(2,3-Epoxy-4-oxo-cyclohexylmethyl)glycine;NSC 177854
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CAS No:
Description
ChEBI: An alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3.
Characteristics
92.9 Ų
0.23520
1.368g/cm3
240 °C (decomp)
415.9ºC at 760 mmHg
205.3ºC
1.551
4.42E-08mmHg at 25°C
Computed Properties
Molecular Weight:199.20
XLogP3:-3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:199.08445790
Monoisotopic Mass:199.08445790
Topological Polar Surface Area:92.9
Heavy Atom Count:14
Complexity:278
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes