Home Carboxys (4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid

(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid

CAS No.:
196404-55-4
Catalog Number:
AG003872
Molecular Formula:
C22H25NO6
Molecular Weight:
399.4370
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$61
- +
5g
98%
In Stock USA
United States
$137
- +
Product Description
Catalog Number:
AG003872
Chemical Name:
(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
CAS Number:
196404-55-4
Molecular Formula:
C22H25NO6
Molecular Weight:
399.4370
MDL Number:
MFCD09837613
IUPAC Name:
(4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-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
InChI Key:
MSVWUXLRSKRKFZ-PAMZHZACSA-N
SMILES:
COc1ccc(cc1)C1O[C@H]([C@@H](N1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O
Properties
Complexity:
574  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
399.168g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.443g/mol
Monoisotopic Mass:
399.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties