562075-87-0
B-D-GLUCOPYRANOSIDE, PHENYL 3-O-(PHENYLMETHYL)-1-THIO-, 4,6-DIBENZOATE
Name
B-D-GLUCOPYRANOSIDE, PHENYL 3-O-(PHENYLMETHYL)-1-THIO-, 4,6-DIBENZOATE
Formula
C33H30O7S
MolWeight
570.659
1Identification
【Name】
B-D-GLUCOPYRANOSIDE, PHENYL 3-O-(PHENYLMETHYL)-1-THIO-, 4,6-DIBENZOATE
【CAS】
【MDL】
MFCD13182741
【English Synonyms】
【Formula】
C33H30O7S
【MolWeight】
570.659
【Inchi】
InChI=1S/C33H30O7S/c34-28-30(37-21-23-13-5-1-6-14-23)29(40-32(36)25-17-9-3-10-18-25)27(22-38-31(35)24-15-7-2-8-16-24)39-33(28)41-26-19-11-4-12-20-26/h1-20,27-30,33-34H,21-22H2/t27-,28-,29-,30-,33+/m1/s1
【InChIKey】
InChIKey=DMWUQCNZOCXLPF-ZKFZROEQSA-N
【SMILES】
O[C@H]1[C@@H](O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1)SC1=CC=CC=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.6317
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-GLUCOPYRANOSIDE, PHENYL 3-O-(PHENYLMETHYL)-1-THIO-, 4,6-DIBENZOATE.cml
Quick Release
L-VINYLGLYCINE
70982-53-5 ;2149-70-4
(S)-(+)-1-AMINOETHYLPHOSPHONIC ACID
66068-76-6
L-ASPARTIC ACID BETA-HYDROXAMATE
1955-68-6
L-AP3
23052-80-4
L-CYSTEIC ACID
498-40-8 ;23537-25-9 ;13100-82-8
2-HEXENEDIOIC ACID, 5-AMINO-, (2E,5S)-
443650-31-5
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L-AP3
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L-CYSTEIC ACID
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2-HEXENEDIOIC ACID, 5-AMINO-, (2E,5S)-
443650-31-5