738601-88-2
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-B-D-MANNOPYRANOSIDE
Name
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-B-D-MANNOPYRANOSIDE
Formula
C41H42O5S
MolWeight
646.844
1Identification
【Name】
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-B-D-MANNOPYRANOSIDE
【CAS】
【MDL】
MFCD13182581
【English Synonyms】
【Formula】
C41H42O5S
【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-HJRBIJKLSA-N
【SMILES】
CC1=CC=C(S[C@@H]2O[C@H](COCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)C=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:8.1293
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLPHENYL 2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-1-THIO-B-D-MANNOPYRANOSIDE.cml
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