922523-12-4
4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-A-D-MANNOPYRANOSIDE
Name
4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-A-D-MANNOPYRANOSIDE
pro_formula
C34H34O5S
pro_molWeight
554.704
1Identification
【Name】
4-METHYLPHENYL 2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-A-D-MANNOPYRANOSIDE
【CAS】
【MDL】
MFCD13182651
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C34H34O5S
【pro_molWeight】
554.704
【Inchi】
InChI=1S/C34H34O5S/c1-24-17-19-28(20-18-24)40-34-32(36-22-26-13-7-3-8-14-26)31(35-21-25-11-5-2-6-12-25)30-29(38-34)23-37-33(39-30)27-15-9-4-10-16-27/h2-20,29-34H,21-23H2,1H3/t29-,30-,31+,32+,33-,34-/m1/s1
【InChIKey】
InChIKey=DDANYPHUIFTAQM-PBNHZRHQSA-N
【SMILES】
CC1=CC=C(S[C@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)C2=CC=CC=C2)C=C1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:5.406
Bulk/Fine:F