872578-72-8
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
Name4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
pro_formulaC22 H31 N3 O13
1Identification
【Name】
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD15072176
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H31 N3 O13
【pro_molWeight】
545.495
【Inchi】
InChI=1S/C22H31N3O13/c1-9(28)23-15-18(31)17(30)13(7-26)36-22(15)38-20-14(8-27)37-21(16(19(20)32)24-10(2)29)35-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26-27,30-32H,7-8H2,1-2H3,(H,23,28)(H,24,29)/t13-,14-,15-,16-,17+,18-,19-,20-,21-,22+/m1/s1
【InChIKey】
InChIKey=HWBFEVWOQMUQIE-BFKOZBEUSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O
【MOL File】
4-NITROPHENYL 2-ACET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:7
pro_acceptors:16
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE.cml