553663-21-1
A-D-MANNOPYRANOSIDE, PHENYL 4,6-O-[(1R)-2-[[2-(2-IODOPHENYL)ETHYL]THIO]-2-OXO-1-PHENYLETHYLIDENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-
NameA-D-MANNOPYRANOSIDE, PHENYL 4,6-O-[(1R)-2-[[2-(2-IODOPHENYL)ETHYL]THIO]-2-OXO-1-PHENYLETHYLIDENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-
1Identification
【Name】
A-D-MANNOPYRANOSIDE, PHENYL 4,6-O-[(1R)-2-[[2-(2-IODOPHENYL)ETHYL]THIO]-2-OXO-1-PHENYLETHYLIDENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-
【CAS】
【MDL】
MFCD13182679
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C42H39IO6S2
【pro_molWeight】
830.796
【Inchi】
InChI=1S/C42H39IO6S2/c43-35-24-14-13-19-32(35)25-26-50-41(44)42(33-20-9-3-10-21-33)47-29-36-37(49-42)38(45-27-30-15-5-1-6-16-30)39(46-28-31-17-7-2-8-18-31)40(48-36)51-34-22-11-4-12-23-34/h1-24,36-40H,25-29H2/t36-,37-,38+,39+,40-,42-/m1/s1
【InChIKey】
InChIKey=AVCPKQUGZLBDGK-UYJWCEFCSA-N
【SMILES】
IC1=C(CCSC(=O)[C@@]2(OC[C@H]3O[C@H](SC4=CC=CC=C4)[C@@H](OCC4=CC=CC=C4)[C@@H](OCC4=CC=CC=C4)[C@@H]3O2)C2=CC=CC=C2)C=CC=C1
【MOL File】
A-D-MANNOPYRANOSIDE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:8.283
Bulk/Fine:F
3MaterialMSDS
4CMLFile
A-D-MANNOPYRANOSIDE, PHENYL 4,6-O-[(1R)-2-[[2-(2-IODOPHENYL)ETHYL]THIO]-2-OXO-1-PHENYLETHYLIDENE]-2,3-BIS-O-(PHENYLMETHYL)-1-THIO-.cml