292062-28-3
A-D-GLUCOPYRANOSIDE, ETHYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-
NameA-D-GLUCOPYRANOSIDE, ETHYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-
1Identification
【Name】
A-D-GLUCOPYRANOSIDE, ETHYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-
【CAS】
【MDL】
MFCD13182855
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C48H48O5S
【pro_molWeight】
736.968
【Inchi】
InChI=1S/C48H48O5S/c1-2-54-47-46(51-35-39-25-13-5-14-26-39)45(50-34-38-23-11-4-12-24-38)44(49-33-37-21-9-3-10-22-37)43(53-47)36-52-48(40-27-15-6-16-28-40,41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-32,43-47H,2,33-36H2,1H3/t43-,44-,45+,46-,47-/m1/s1
【InChIKey】
InChIKey=YNBIUQNSUNTHFM-ZTQXLAMASA-N
【SMILES】
CCS[C@H]1O[C@H](COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1
【MOL File】
A-D-GLUCOPYRANOSIDE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:9.7029
Bulk/Fine:F
3MaterialMSDS
4CMLFile
A-D-GLUCOPYRANOSIDE, ETHYL 2,3,4-TRIS-O-(PHENYLMETHYL)-1-THIO-6-O-(TRIPHENYLMETHYL)-.cml