479687-23-5
(4S)-4-PHENYL-1,2,3-OXATHIAZOLIDINE-2,2-DIOXIDE-3-CARBOXYLIC ACID T-BUTYL ESTER
Name(4S)-4-PHENYL-1,2,3-OXATHIAZOLIDINE-2,2-DIOXIDE-3-CARBOXYLIC ACID T-BUTYL ESTER
1Identification
【Name】
(4S)-4-PHENYL-1,2,3-OXATHIAZOLIDINE-2,2-DIOXIDE-3-CARBOXYLIC ACID T-BUTYL ESTER
【CAS】
【MDL】
MFCD17018794
【English Synonyms】
【Formula】
C13 H17 N O5 S
【MolWeight】
299.345
【Inchi】
InChI=1S/C13H17NO5S/c1-13(2,3)19-12(15)14-11(9-18-20(14,16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
【InChIKey】
InChIKey=MRPGVSFPIVVEKD-LLVKDONJSA-N
【SMILES】
CC(C)(C)OC(=O)N1[C@H](COS1(=O)=O)c2ccccc2
【MOL File】
(4S)-4-PHENYL-1,2,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4S)-4-PHENYL-1,2,3-OXATHIAZOLIDINE-2,2-DIOXIDE-3-CARBOXYLIC ACID T-BUTYL ESTER.cml