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

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

CAS: 724787-52-4

Formula: C36H52N4O10

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

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

InChI: InChI=1S/2C18H26N2O5/c2*1-18(2,3)25-16(22)19-14-9-10-20(11-15(14)21)17(23)24-12-13-7-5-4-6-8-13/h2*4-8,14-15,21H,9-12H2,1-3H3,(H,19,22)/t2*14-,15-/m10/s1

Composition: C (61.70%), H (7.48%), N (7.99%), O (22.83%)

Molar Mass: 700.83

Atom Count: 102

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 700.36834389
Formal Charge 0
FSP3 0.56
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LXKZSFJULMGFBQ-FGYPTBLJSA-N
Lipinski's Rule of Five
Molar Refractivity 91.85
Topological Polar Surface Area 88.1
Polarizability 36.16
Ring Count 4
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 724787-52-4 $43.32-$2,891.70$43.32$86.86$217.05$871.14$1,451.98$2,891.70
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