50908-41-3
(2R,3S,5R)-5-CYANO-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE
Name(2R,3S,5R)-5-CYANO-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE
1Identification
【Name】
(2R,3S,5R)-5-CYANO-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD22392329
【English Synonyms】
【Formula】
C22 H21 N O5
【MolWeight】
379.41
【Inchi】
InChI=1S/C22H21NO5/c1-14-3-7-16(8-4-14)21(24)26-13-20-19(11-18(12-23)27-20)28-22(25)17-9-5-15(2)6-10-17/h3-10,18-20H,11,13H2,1-2H3/t18-,19+,20-/m1/s1
【InChIKey】
InChIKey=CNZCFLNRRCOAAM-HSALFYBXSA-N
【SMILES】
Cc1ccc(cc1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)C#N)OC(=O)c3ccc(cc3)C
【MOL File】
(2R,3S,5R)-5-CYANO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2R,3S,5R)-5-CYANO-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE.cml