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(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid

(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid

CAS: 59554-14-2

Formula: C10H13NO3

SMILES: N[C@H](CC1=CC=CC=C1)[C@H](O)C(O)=O

IUPAC: (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid

InChI: InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1

Composition: C (61.53%), H (6.71%), N (7.18%), O (24.59%)

Molar Mass: 195.218

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 195.089543283
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey LDSJMFGYNFIFRK-BDAKNGLRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.08
Topological Polar Surface Area 83.55
Polarizability 20.36
Ring Count 1
Rotatable Bond Count 4

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