50605-12-4
BENZYL 2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-BETA-D-GLUCOPYRANOSIDE
NameBENZYL 2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
BENZYL 2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00269926
【English Synonyms】
【Formula】
C18 H25 N O6
【MolWeight】
351.397
【Inchi】
InChI=1S/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14-,15-,16-,17-/m1/s1
【InChIKey】
InChIKey=BBFJZZWRXVVKEC-WRQOLXDDSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@H]1OCc3ccccc3)O
【MOL File】
BENZYL 2-ACETAMIDO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-BETA-D-GLUCOPYRANOSIDE.cml