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benzyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)-2-hydroxypropanoate

benzyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)-2-hydroxypropanoate

CAS: 1260601-63-5

Formula: C21H24ClNO5

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

IUPAC: benzyl (2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)-2-hydroxypropanoate

InChI: InChI=1S/C21H24ClNO5/c1-21(2,3)28-20(26)23-17(15-9-11-16(22)12-10-15)18(24)19(25)27-13-14-7-5-4-6-8-14/h4-12,17-18,24H,13H2,1-3H3,(H,23,26)/t17-,18+/m0/s1

Composition: C (62.15%), H (5.96%), Cl (8.73%), N (3.45%), O (19.71%)

Molar Mass: 405.88

Atom Count: 52

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 405.1343006
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XHSMOBBAUOESNL-ZWKOTPCHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.38
Topological Polar Surface Area 84.86
Polarizability 41.67
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260601-63-5 $1,700.00-$3,520.00$1,700.00$2,530.00$3,520.00
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