173725-22-9
OCTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
NameOCTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
OCTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD08703875
【English Synonyms】
【Formula】
C22 H37 N O9
【MolWeight】
459.532
【Inchi】
InChI=1S/C22H37NO9/c1-6-7-8-9-10-11-12-28-22-19(23-14(2)24)21(31-17(5)27)20(30-16(4)26)18(32-22)13-29-15(3)25/h18-22H,6-13H2,1-5H3,(H,23,24)/t18-,19-,20-,21-,22-/m1/s1
【InChIKey】
InChIKey=MKWRBOCGIQFSER-ZGJYDULXSA-N
【SMILES】
CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
【MOL File】
OCTYL 2-ACETAMIDO-3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OCTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE.cml