59837-15-9
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
Name4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
1Identification
【Name】
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD11973882
【English Synonyms】
【Formula】
C20 H28 N2 O13
【MolWeight】
504.442
【Inchi】
InChI=1S/C20H28N2O13/c1-8(25)21-13-18(35-20-17(29)16(28)14(26)11(6-23)34-20)15(27)12(7-24)33-19(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=INMOOBMAIAWVBW-OHKLXAGTSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
【MOL File】
4-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
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSIDE.cml