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methyl (2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate

methyl (2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate

CAS: 158830-39-8

Formula: C15H21NO5

SMILES: COC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1

IUPAC: methyl (2S,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate

InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-11(12(17)13(18)20-4)10-8-6-5-7-9-10/h5-9,11-12,17H,1-4H3,(H,16,19)/t11-,12-/m0/s1

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 295.14197278
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NCALQERIBRYGOK-RYUDHWBXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.97
Topological Polar Surface Area 84.86
Polarizability 30.23
Ring Count 1
Rotatable Bond Count 7

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95% <5 Days 158830-39-8 $276.00$276.00
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