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benzyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-(4-nitrophenyl)propanoate

benzyl (2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-(4-nitrophenyl)propanoate

CAS: 1260593-46-1

Formula: C21H24N2O7

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

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

InChI: InChI=1S/C21H24N2O7/c1-21(2,3)30-20(26)22-17(15-9-11-16(12-10-15)23(27)28)18(24)19(25)29-13-14-7-5-4-6-8-14/h4-12,17-18,24H,13H2,1-3H3,(H,22,26)/t17-,18+/m0/s1

Composition: C (60.57%), H (5.81%), N (6.73%), O (26.89%)

Molar Mass: 416.43

Atom Count: 54

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 416.158351121
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey WKLYRSXBAOLUPM-ZWKOTPCHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.9
Topological Polar Surface Area 128
Polarizability 41.71
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260593-46-1 $1,700.00-$3,520.00$1,700.00$2,530.00$3,520.00
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