184377-56-8
P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSIDE
NameP-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSIDE
1Identification
【Name】
P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00797621
【English Synonyms】
【Formula】
C20 H28 N2 O13
【MolWeight】
504.442
【Inchi】
InChI=1S/C20H28N2O13/c1-8(25)21-13-15(27)18(35-20-17(29)16(28)14(26)11(6-23)33-20)12(7-24)34-19(13)32-10-4-2-9(3-5-10)22(30)31/h2-5,11-20,23-24,26-29H,6-7H2,1H3,(H,21,25)/t11-,12-,13-,14+,15-,16+,17-,18-,19+,20+/m1/s1
【InChIKey】
InChIKey=XPNNKRYJIDEOHX-NQTLPEFZSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
【MOL File】
P-NITROPHENYL 2-ACET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:15
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSIDE.cml