200,000+ products from a single source!
sales@angenechem.com
692778-49-7 | 3-(4-BENZYL-2-OXO-OXAZOLIDINE-3-CARBONYL)-4-METHYL-HEXANOIC ACID TERT-BUTYL ESTER
CAS No: 692778-49-7 Catalog No: AG006NEV MDL No:MFCD10574812
Product Description
Catalog Number:
AG006NEV
Chemical Name:
3-(4-BENZYL-2-OXO-OXAZOLIDINE-3-CARBONYL)-4-METHYL-HEXANOIC ACID TERT-BUTYL ESTER
CAS Number:
692778-49-7
Molecular Formula:
C22H31NO5
Molecular Weight:
389.4852
MDL Number:
MFCD10574812
IUPAC Name:
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4-methylhexanoate
InChI:
InChI=1S/C22H31NO5/c1-6-15(2)18(13-19(24)28-22(3,4)5)20(25)23-17(14-27-21(23)26)12-16-10-8-7-9-11-16/h7-11,15,17-18H,6,12-14H2,1-5H3
InChI Key:
RCEHOHBPJZEWPH-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)N1C(=O)OCC1Cc1ccccc1)CC(=O)OC(C)(C)C)C
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.22g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.492g/mol
Monoisotopic Mass:
389.22g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.