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(2R,3R)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid

(2R,3R)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid

CAS: 1217733-31-7

Formula: C15H18F3NO5

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

IUPAC: (2R,3R)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid

InChI: InChI=1S/C15H18F3NO5/c1-14(2,3)24-13(23)19-10(11(20)12(21)22)8-4-6-9(7-5-8)15(16,17)18/h4-7,10-11,20H,1-3H3,(H,19,23)(H,21,22)/t10-,11-/m1/s1

Composition: C (51.58%), H (5.19%), F (16.32%), N (4.01%), O (22.90%)

Molar Mass: 349.306

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 349.113707173
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey BPRVMYAOSPCFJE-GHMZBOCLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.17
Topological Polar Surface Area 95.86
Polarizability 29.46
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1217733-31-7 $235.98-$627.21$235.98$389.16$627.21
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1217733-31-7 $119.60-$402.50$119.60$230.00$402.50
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