702676-36-6
D-GALACTOPYRANOSIDE, ETHYL 1-THIO-, TETRABENZOATE
Name
D-GALACTOPYRANOSIDE, ETHYL 1-THIO-, TETRABENZOATE
Formula
C36H32O9S
MolWeight
640.706
1Identification
【Name】
D-GALACTOPYRANOSIDE, ETHYL 1-THIO-, TETRABENZOATE
【CAS】
【MDL】
MFCD13182846
【English Synonyms】
【Formula】
C36H32O9S
【MolWeight】
640.706
【Inchi】
InChI=1S/C36H32O9S/c1-2-46-36-31(45-35(40)27-21-13-6-14-22-27)30(44-34(39)26-19-11-5-12-20-26)29(43-33(38)25-17-9-4-10-18-25)28(42-36)23-41-32(37)24-15-7-3-8-16-24/h3-22,28-31,36H,2,23H2,1H3/t28-,29+,30+,31-,36?/m1/s1
【InChIKey】
InChIKey=FDZXYVHYHQOAEG-AZDDEXEBSA-N
【SMILES】
C(C1=CC=CC=C1)(=O)O[C@H]1C(SCC)O[C@@H]([C@@H]([C@@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:6.112
Bulk/Fine:F