97974-20-4
BETA-D-GLUCOPYRANOSIDE, PHENYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-
NameBETA-D-GLUCOPYRANOSIDE, PHENYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-
1Identification
【Name】
BETA-D-GLUCOPYRANOSIDE, PHENYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-
【CAS】
【MDL】
MFCD06657845
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C33 H34 O5 S
【pro_molWeight】
542.693
【Inchi】
InChI=1S/C33H34O5S/c34-30-29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(37-23-27-17-9-3-10-18-27)31(30)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30-,31+,32-,33+/m1/s1
【InChIKey】
InChIKey=JWEXHALGGJAYED-AALIFHQRSA-N
【SMILES】
c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Sc3ccccc3)OCc4ccccc4)OCc5ccccc5)O
【MOL File】
BETA-D-GLUCOPYRANOSI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BETA-D-GLUCOPYRANOSIDE, PHENYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-.cml