59694-35-8
5-ACETAMINO-4-HYDROXY-2-(4-NITRO-PHENOXY)-6-(1,2,3-TRIHYDROXY-PROPYL)-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID METHYL ESTER
Name5-ACETAMINO-4-HYDROXY-2-(4-NITRO-PHENOXY)-6-(1,2,3-TRIHYDROXY-PROPYL)-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
5-ACETAMINO-4-HYDROXY-2-(4-NITRO-PHENOXY)-6-(1,2,3-TRIHYDROXY-PROPYL)-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09835523
【English Synonyms】
【Formula】
C18 H24 N2 O11
【MolWeight】
444.391
【Inchi】
InChI=1S/C18H24N2O11/c1-9(22)19-14-12(23)7-18(17(26)29-2,31-16(14)15(25)13(24)8-21)30-11-5-3-10(4-6-11)20(27)28/h3-6,12-16,21,23-25H,7-8H2,1-2H3,(H,19,22)
【InChIKey】
InChIKey=LTSBWQNHBHAHAW-UHFFFAOYSA-N
【SMILES】
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)Oc2ccc(cc2)[N+](=O)[O-])O
【MOL File】
5-ACETAMINO-4-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:13
XLogP3:-2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-ACETAMINO-4-HYDROXY-2-(4-NITRO-PHENOXY)-6-(1,2,3-TRIHYDROXY-PROPYL)-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID METHYL ESTER.cml