90358-01-3
O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)TRICHLOROACETIMIDATE
NameO-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)TRICHLOROACETIMIDATE
pro_formulaC36 H36 Cl3 N O6
1Identification
【Name】
O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)TRICHLOROACETIMIDATE
【CAS】
【MDL】
MFCD01862266
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C36 H36 Cl3 N O6
【pro_molWeight】
685.04
【Inchi】
InChI=1S/C36H36Cl3NO6/c37-36(38,39)35(40)46-34-33(44-24-29-19-11-4-12-20-29)32(43-23-28-17-9-3-10-18-28)31(42-22-27-15-7-2-8-16-27)30(45-34)25-41-21-26-13-5-1-6-14-26/h1-20,30-34,40H,21-25H2/t30-,31+,32+,33-,34-/m1/s1
【InChIKey】
InChIKey=LMICALCPRSCSMO-BWNLSPMZSA-N
【SMILES】
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5
【MOL File】
O-(2,3,4,6-TETRA-O-B….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)TRICHLOROACETIMIDATE.cml