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benzyl (3R,4S)-3-[(tert-butoxycarbonyl)amino]-4-(hydroxymethyl)piperidine-1-carboxylate

benzyl (3R,4S)-3-[(tert-butoxycarbonyl)amino]-4-(hydroxymethyl)piperidine-1-carboxylate

CAS: 2472560-38-4

Formula: C19H28N2O5

SMILES: CC(C)(C)OC(=O)N[C@H]1CN(CC[C@@H]1CO)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (3R,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-(hydroxymethyl)piperidine-1-carboxylate

InChI: InChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)20-16-11-21(10-9-15(16)12-22)18(24)25-13-14-7-5-4-6-8-14/h4-8,15-16,22H,9-13H2,1-3H3,(H,20,23)/t15-,16+/m1/s1

Composition: C (62.62%), H (7.74%), N (7.69%), O (21.95%)

Molar Mass: 364.442

Atom Count: 54

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 364.19982201
Formal Charge 0
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BJFPRXYSHZLDMG-CVEARBPZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.83
Topological Polar Surface Area 88.1
Polarizability 38
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2472560-38-4 $327.75-$3,059.00$327.75$540.50$966.00$1,817.00$3,059.00$11,362.00
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