219518-19-1
4-METHYLPHENYL4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-BETA-D-GLUCOPYRANOSIDE
Name4-METHYLPHENYL4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-METHYLPHENYL4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD16660953
【English Synonyms】
【Formula】
C20 H22 O5 S
【MolWeight】
374.455
【Inchi】
InChI=1S/C20H22O5S/c1-12-7-9-14(10-8-12)26-20-17(22)16(21)18-15(24-20)11-23-19(25-18)13-5-3-2-4-6-13/h2-10,15-22H,11H2,1H3/t15-,16-,17-,18-,19-,20+/m1/s1
【InChIKey】
InChIKey=XIHVGCBDTUPQRQ-PJBUMPDVSA-N
【SMILES】
Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)c4ccccc4)O)O
【MOL File】
4-METHYLPHENYL4,6-O-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLPHENYL4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-BETA-D-GLUCOPYRANOSIDE.cml