115431-24-8
HEPTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
NameHEPTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
HEPTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD08703743
【English Synonyms】
【Formula】
C21 H35 N O9
【MolWeight】
445.505
【Inchi】
InChI=1S/C21H35NO9/c1-6-7-8-9-10-11-27-21-18(22-13(2)23)20(30-16(5)26)19(29-15(4)25)17(31-21)12-28-14(3)24/h17-21H,6-12H2,1-5H3,(H,22,23)/t17-,18-,19-,20-,21-/m1/s1
【InChIKey】
InChIKey=RBCLSYRDYAVQGI-PFAUGDHASA-N
【SMILES】
CCCCCCCO[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】
HEPTYL 2-ACETAMIDO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HEPTYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE.cml