61443-58-1
2-(N-HEXADECANOYLAMINO)-4-NITROPHENYL BETA-D-GLUCOPYRANOSIDE
Name2-(N-HEXADECANOYLAMINO)-4-NITROPHENYL BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
2-(N-HEXADECANOYLAMINO)-4-NITROPHENYL BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00069786
【English Synonyms】
【Formula】
C28 H46 N2 O9
【MolWeight】
554.676
【Inchi】
InChI=1S/C28H46N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)29-21-18-20(30(36)37)16-17-22(21)38-28-27(35)26(34)25(33)23(19-31)39-28/h16-18,23,25-28,31,33-35H,2-15,19H2,1H3,(H,29,32)/t23-,25-,26+,27-,28-/m1/s1
【InChIKey】
InChIKey=VQANZNCUHNPTGV-TWHDSSIESA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
【MOL File】
2-(N-HEXADECANOYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:11
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(N-HEXADECANOYLAMINO)-4-NITROPHENYL BETA-D-GLUCOPYRANOSIDE.cml