57467-12-6
4-NITROPHENYL 2-ACETAMIDO-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
Name
4-NITROPHENYL 2-ACETAMIDO-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
Formula
C28 H36 N2 O17
MolWeight
672.589
1Identification
【Name】
4-NITROPHENYL 2-ACETAMIDO-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD04973638
【English Synonyms】
【Formula】
C28 H36 N2 O17
【MolWeight】
672.589
【Inchi】
InChI=1S/C28H36N2O17/c1-12(32)29-21-24(22(37)19(10-31)45-27(21)44-18-8-6-17(7-9-18)30(38)39)47-28-26(43-16(5)36)25(42-15(4)35)23(41-14(3)34)20(46-28)11-40-13(2)33/h6-9,19-28,31,37H,10-11H2,1-5H3,(H,29,32)/t19-,20-,21-,22+,23+,24-,25+,26-,27+,28+/m1/s1
【InChIKey】
InChIKey=NULURJYXRHZLHJ-LWAHQVHWSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)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
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:19
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROPHENYL 2-ACETAMIDO-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE.cml
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