55274-44-7
2-NITROPHENYL 2,3,4-TRI-O-ACETYL-BETA-D-GLUCURONIDE METHYL ESTER
Name2-NITROPHENYL 2,3,4-TRI-O-ACETYL-BETA-D-GLUCURONIDE METHYL ESTER
1Identification
【Name】
2-NITROPHENYL 2,3,4-TRI-O-ACETYL-BETA-D-GLUCURONIDE METHYL ESTER
【CAS】
【MDL】
MFCD07369605
【English Synonyms】
【Formula】
C19 H21 N O12
【MolWeight】
455.37
【Inchi】
InChI=1S/C19H21NO12/c1-9(21)28-14-15(29-10(2)22)17(30-11(3)23)19(32-16(14)18(24)27-4)31-13-8-6-5-7-12(13)20(25)26/h5-8,14-17,19H,1-4H3/t14-,15-,16-,17+,19+/m0/s1
【InChIKey】
InChIKey=CTOASCJVNQFYNH-YTGMWSOZSA-N
【SMILES】
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccccc2[N+](=O)[O-])C(=O)OC)OC(=O)C
【MOL File】
2-NITROPHENYL 2,3,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:13
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-NITROPHENYL 2,3,4-TRI-O-ACETYL-BETA-D-GLUCURONIDE METHYL ESTER.cml