70831-94-6
3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE
Name3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE
pro_formulaC20 H20 Br N O9
1Identification
【Name】
3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE
【CAS】
【MDL】
MFCD00269935
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H20 Br N O9
【pro_molWeight】
498.28
【Inchi】
InChI=1S/C20H20BrNO9/c1-9(23)28-8-14-16(29-10(2)24)17(30-11(3)25)15(18(21)31-14)22-19(26)12-6-4-5-7-13(12)20(22)27/h4-7,14-18H,8H2,1-3H3/t14-,15-,16-,17-,18?/m1/s1
【InChIKey】
InChIKey=GRDUQQNEXMJRRS-XNIMBYMISA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)Br)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C
【MOL File】
3,4,6-TRI-O-ACETYL-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:10
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-D-GLUCOPYRANOSYL BROMIDE.cml