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(2R,4S,5R)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid

(2R,4S,5R)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid

CAS: 155396-69-3

Formula: C22H25NO6

SMILES: COC1=CC=C(C=C1)[C@H]1O[C@H]([C@@H](N1C(=O)OC(C)(C)C)C1=CC=CC=C1)C(O)=O

IUPAC: (2R,4S,5R)-3-[(tert-butoxy)carbonyl]-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid

InChI: InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(14-8-6-5-7-9-14)18(20(24)25)28-19(23)15-10-12-16(27-4)13-11-15/h5-13,17-19H,1-4H3,(H,24,25)/t17-,18+,19+/m0/s1

Composition: C (66.15%), H (6.31%), N (3.51%), O (24.03%)

Molar Mass: 399.443

Atom Count: 54

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 399.168187529
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey MSVWUXLRSKRKFZ-IPMKNSEASA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.69
Topological Polar Surface Area 85.3
Polarizability 41.41
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
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