220645-12-5
B-D-GALACTOPYRANOSIDE, 4-METHYLPHENYL 1-THIO-, 3,4,6-TRIBENZOATE
Name
B-D-GALACTOPYRANOSIDE, 4-METHYLPHENYL 1-THIO-, 3,4,6-TRIBENZOATE
Formula
C34H30O8S
MolWeight
598.669
1Identification
【Name】
B-D-GALACTOPYRANOSIDE, 4-METHYLPHENYL 1-THIO-, 3,4,6-TRIBENZOATE
【CAS】
【MDL】
MFCD13182749
【English Synonyms】
【Formula】
C34H30O8S
【MolWeight】
598.669
【Inchi】
InChI=1S/C34H30O8S/c1-22-17-19-26(20-18-22)43-34-28(35)30(42-33(38)25-15-9-4-10-16-25)29(41-32(37)24-13-7-3-8-14-24)27(40-34)21-39-31(36)23-11-5-2-6-12-23/h2-20,27-30,34-35H,21H2,1H3/t27-,28-,29+,30-,34+/m1/s1
【InChIKey】
InChIKey=XRXBTVFVVSJYRE-PXJJNHDGSA-N
【SMILES】
CC1=CC=C(S[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@H](OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C3=CC=CC=C3)[C@H]2O)C=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.3824
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-GALACTOPYRANOSIDE, 4-METHYLPHENYL 1-THIO-, 3,4,6-TRIBENZOATE.cml
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