Benzeneacetonitrile, α-amino-, (R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
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Benzeneacetonitrile, α-amino-, (R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
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CAS No:
19720-18-4
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Formula:
C8H8N2.1/2C4H6O6
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Chemical Name:
Benzeneacetonitrile, α-amino-, (R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
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Synonyms:
Benzeneacetonitrile,α-amino-,(R)-,(2R,3R)-2,3-dihydroxybutanedioate (2:1);Acetonitrile,aminophenyl-,D-,L-tartrate (2:1);Benzeneacetonitrile,α-amino-,(R)-,[R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1)
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CAS No:
Benzeneacetonitrile, α-amino-, (R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) Basic Attributes
414.41188
281.077
243-249-2
Computed Properties
Molecular Weight:281.24
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:281.07736114
Monoisotopic Mass:281.07736114
Topological Polar Surface Area:172
Heavy Atom Count:20
Formal Charge:-1
Complexity:261
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Benzeneacetonitrile, α-amino-, (R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
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