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

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

CAS: 1219592-76-3

Formula: C21H25NO5

SMILES: CC(C)(C)OC(=O)N[C@H]([C@@H](O)C(=O)OCC1=CC=CC=C1)C1=CC=CC=C1

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

InChI: InChI=1S/C21H25NO5/c1-21(2,3)27-20(25)22-17(16-12-8-5-9-13-16)18(23)19(24)26-14-15-10-6-4-7-11-15/h4-13,17-18,23H,14H2,1-3H3,(H,22,25)/t17-,18+/m0/s1

Composition: C (67.91%), H (6.78%), N (3.77%), O (21.54%)

Molar Mass: 371.433

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 371.173272909
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HVXSELQCGRNIEC-ZWKOTPCHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.58
Topological Polar Surface Area 84.86
Polarizability 39.78
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1219592-76-3 $647.00-$3,520.00$647.00$1,700.00$3,520.00
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