658075-32-2
A-D-MANNOPYRANOSIDE, PHENYL 3,4-BIS-O-(PHENYLMETHYL)-1-THIO-, DIBENZOATE
NameA-D-MANNOPYRANOSIDE, PHENYL 3,4-BIS-O-(PHENYLMETHYL)-1-THIO-, DIBENZOATE
1Identification
【Name】
A-D-MANNOPYRANOSIDE, PHENYL 3,4-BIS-O-(PHENYLMETHYL)-1-THIO-, DIBENZOATE
【CAS】
【MDL】
MFCD13182585
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C40H36O7S
【pro_molWeight】
660.783
【Inchi】
InChI=1S/C40H36O7S/c41-38(31-20-10-3-11-21-31)45-28-34-35(43-26-29-16-6-1-7-17-29)36(44-27-30-18-8-2-9-19-30)37(47-39(42)32-22-12-4-13-23-32)40(46-34)48-33-24-14-5-15-25-33/h1-25,34-37,40H,26-28H2/t34-,35-,36+,37+,40-/m1/s1
【InChIKey】
InChIKey=PMMQIJCHBLHRIZ-PCOMTGGVSA-N
【SMILES】
O=C(OC[C@H]1O[C@H](SC2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1)C1=CC=CC=C1
【MOL File】
A-D-MANNOPYRANOSIDE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:7.1888
Bulk/Fine:F
3MaterialMSDS
4CMLFile
A-D-MANNOPYRANOSIDE, PHENYL 3,4-BIS-O-(PHENYLMETHYL)-1-THIO-, DIBENZOATE.cml