136734-56-0
4-NITROPHENYL 6-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Name4-NITROPHENYL 6-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-NITROPHENYL 6-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD07369594
【English Synonyms】
【Formula】
C18 H25 N O13
【MolWeight】
463.389
【Inchi】
InChI=1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18+/m1/s1
【InChIKey】
InChIKey=ISCYUJSLZREARS-XCZSIQBNSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
【MOL File】
4-NITROPHENYL 6-O-AL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:14
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROPHENYL 6-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE.cml