RefChem:562908

(2R)-2-amino-2-phenylacetic acid;[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Also Known As: Benzeneacetic acid, alpha-amino-, (alphaR)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonate|Benzeneacetic acid, alpha-amino-, (alphaR)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonate (1:1)|(2R)-2-amino-2-phenylacetic acid; [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid|(R)-(Phenylacetyl)ammonium (1S)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulphonate|Benzeneacetic acid, .alpha.-amino-, (.alpha.R)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate (1:1)|Benzeneacetic acid, alpha-amino-, (alphaR)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate (1:1)

Molecular Formula	C18H25NO6S
Molecular Weight	383.14026 g/mol
LogP	2.0406
Topological Polar Surface Area	143.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	383.14026
Monoisotopic Mass	383.14026
Heavy Atoms	26
Complexity	545.0

Chemical Identifiers

CAS Number	36775-31-2
SMILES	CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.C1=CC=C(C=C1)[C@H](C(=O)O)N
InChIKey	BSVPYMWMLYBQFS-QHZLGHJSSA-N