637316-97-3
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-, 6-BENZOATE
NameB-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-, 6-BENZOATE
1Identification
【Name】
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-, 6-BENZOATE
【CAS】
【MDL】
MFCD13182807
【English Synonyms】
【Formula】
C34H34O6S
【MolWeight】
570.703
【Inchi】
InChI=1S/C34H34O6S/c1-24-17-19-28(20-18-24)41-34-32(38-22-26-13-7-3-8-14-26)31(37-21-25-11-5-2-6-12-25)30(35)29(40-34)23-39-33(36)27-15-9-4-10-16-27/h2-20,29-32,34-35H,21-23H2,1H3/t29-,30-,31+,32-,34+/m1/s1
【InChIKey】
InChIKey=IWIUNZZQUCFHHT-PUPFNBACSA-N
【SMILES】
CC1=CC=C(S[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](OCC3=CC=CC=C3)[C@H]2OCC2=CC=CC=C2)C=C1
【MOL File】
B-D-GLUCOPYRANOSIDE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.9756
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-1-THIO-, 6-BENZOATE.cml