211678-08-9
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE
Name4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE
1Identification
【Name】
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD13182598
【English Synonyms】
【Formula】
C41 H42 O5 S
【MolWeight】
646.844
【Inchi】
InChI=1S/C41H42O5S/c1-31-22-24-36(25-23-31)47-41-40(45-29-35-20-12-5-13-21-35)39(44-28-34-18-10-4-11-19-34)38(43-27-33-16-8-3-9-17-33)37(46-41)30-42-26-32-14-6-2-7-15-32/h2-25,37-41H,26-30H2,1H3/t37-,38+,39+,40-,41+/m1/s1
【InChIKey】
InChIKey=DDEYRWOAKGAYDF-RSGFCBGISA-N
【SMILES】
Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6
【MOL File】
4-METHYLPHENYL 2,3,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE.cml