Name: Name:5-Oxazolidinecarboxylic acid, 3-benzoyl-2,2-dimethyl-4-phenyl-,(4S,5R)-
Brand: Angene
SKU: AG00HY5J
Rating: 90 (10 reviews)

5-Oxazolidinecarboxylic acid, 3-benzoyl-2,2-dimethyl-4-phenyl-,(4S,5R)-

CAS No.:

153652-70-1

Catalog Number:

AG00HY5J

Molecular Formula:

C19H19NO4

Molecular Weight:

325.3585

Catalog Number:

AG00HY5J

Chemical Name:

5-Oxazolidinecarboxylic acid, 3-benzoyl-2,2-dimethyl-4-phenyl-,(4S,5R)-

CAS Number:

153652-70-1

Molecular Formula:

C19H19NO4

Molecular Weight:

325.3585

MDL Number:

MFCD11046552

IUPAC Name:

(4S,5R)-3-benzoyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid

InChI:

InChI=1S/C19H19NO4/c1-19(2)20(17(21)14-11-7-4-8-12-14)15(16(24-19)18(22)23)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3,(H,22,23)/t15-,16+/m0/s1

InChI Key:

AQOXAQNPPJHPAD-JKSUJKDBSA-N

SMILES:

OC(=O)[C@@H]1OC(N([C@H]1c1ccccc1)C(=O)c1ccccc1)(C)C

Complexity:

478

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

325.364g/mol

Monoisotopic Mass:

325.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9