501089-62-9
4-METHYLPHENYL-2-AZIDO-2-DEOXY-3,4-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE 6-BENZOATE
Name4-METHYLPHENYL-2-AZIDO-2-DEOXY-3,4-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE 6-BENZOATE
1Identification
【Name】
4-METHYLPHENYL-2-AZIDO-2-DEOXY-3,4-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE 6-BENZOATE
【CAS】
【MDL】
MFCD16660950
【English Synonyms】
【Formula】
C34 H33 N3 O5 S
【MolWeight】
595.717
【Inchi】
InChI=1S/C34H33N3O5S/c1-24-17-19-28(20-18-24)43-34-30(36-37-35)32(40-22-26-13-7-3-8-14-26)31(39-21-25-11-5-2-6-12-25)29(42-34)23-41-33(38)27-15-9-4-10-16-27/h2-20,29-32,34H,21-23H2,1H3/t29-,30-,31-,32-,34+/m1/s1
【InChIKey】
InChIKey=QTVDJLKECYJUIN-DREMHGKPSA-N
【SMILES】
Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)c3ccccc3)OCc4ccccc4)OCc5ccccc5)N=[N+]=[N-]
【MOL File】
4-METHYLPHENYL-2-AZI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLPHENYL-2-AZIDO-2-DEOXY-3,4-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE 6-BENZOATE.cml