200,000+ products from a single source!
sales@angenechem.com
131613-94-0 | 3-Oxazolidinecarboxylic acid, 4-[(2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, [4S-[4R*[S*(S*)]]]- (9CI)
CAS No: 131613-94-0 Catalog No: AG000ZI0 MDL No:
Product Description
Catalog Number:
AG000ZI0
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-[(2,5-dihydro-5-oxo-2-furanyl)hydroxymethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, [4S-[4R*[S*(S*)]]]- (9CI)
CAS Number:
131613-94-0
Molecular Formula:
C15H23NO6
Molecular Weight:
313.3462
IUPAC Name:
tert-butyl (4S)-4-[(R)-hydroxy-[(2R)-5-oxo-2H-furan-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C15H23NO6/c1-14(2,3)22-13(19)16-9(8-20-15(16,4)5)12(18)10-6-7-11(17)21-10/h6-7,9-10,12,18H,8H2,1-5H3/t9-,10+,12+/m0/s1
InChI Key:
XLXUOUVMYCUWGG-HOSYDEDBSA-N
SMILES:
O[C@H]([C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)[C@H]1C=CC(=O)O1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
313.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.35g/mol
Monoisotopic Mass:
313.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.