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

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

CAS: 25488-27-1

Formula: C10H13NO2

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

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

InChI: InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m1/s1

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 179.094628663
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IRZQDMYEJPNDEN-APPZFPTMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.59
Topological Polar Surface Area 63.32
Polarizability 19.73
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 25488-27-1 $342.70-$7,912.00$342.70$457.70$687.70$1,147.70$2,162.00$7,912.00
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