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(2R,3R)-3-amino-2-hydroxy-3-phenylpropanoic acid

(2R,3R)-3-amino-2-hydroxy-3-phenylpropanoic acid

CAS: 7309-54-8

Formula: C9H11NO3

SMILES: N[C@@H]([C@@H](O)C(O)=O)C1=CC=CC=C1

IUPAC: (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoic acid

InChI: InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m1/s1

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 181.073893218
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey RZARFIRJROUVLM-HTQZYQBOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.32
Topological Polar Surface Area 83.55
Polarizability 18.53
Ring Count 1
Rotatable Bond Count 3

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