596087-18-2
4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE
Name4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD19980792
【English Synonyms】
【Formula】
C27 H30 O5 S
【MolWeight】
466.595
【Inchi】
InChI=1S/C27H30O5S/c1-19-12-14-22(15-13-19)33-27-26(31-18-21-10-6-3-7-11-21)25(24(29)23(16-28)32-27)30-17-20-8-4-2-5-9-20/h2-15,23-29H,16-18H2,1H3/t23-,24-,25+,26-,27+/m1/s1
【InChIKey】
InChIKey=JXFWXDSPXXEFQG-SEFGFODJSA-N
【SMILES】
Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCc3ccccc3)OCc4ccccc4
【MOL File】
4-METHYLPHENYL 2,3-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GLUCOPYRANOSIDE.cml