85193-88-0
4-NITROPHENYL 2-ACETAMIDO-3,6-DI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Name4-NITROPHENYL 2-ACETAMIDO-3,6-DI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-NITROPHENYL 2-ACETAMIDO-3,6-DI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD04039640
【English Synonyms】
【Formula】
C32 H40 N2 O19
【MolWeight】
756.663
【Inchi】
InChI=1S/C32H40N2O19/c1-14(35)33-25-28(47-18(5)39)26(23(12-44-15(2)36)51-31(25)50-22-10-8-21(9-11-22)34(42)43)53-32-30(49-20(7)41)29(48-19(6)40)27(46-17(4)38)24(52-32)13-45-16(3)37/h8-11,23-32H,12-13H2,1-7H3,(H,33,35)/t23-,24-,25-,26-,27+,28-,29+,30-,31-,32+/m1/s1
【InChIKey】
InChIKey=LXUSBVSVBLRAJQ-ZXVVBKGMSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
4-NITROPHENYL 2-ACET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:21
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROPHENYL 2-ACETAMIDO-3,6-DI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE.cml