40591-65-9
2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREA HYDROBROMIDE
Name2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREA HYDROBROMIDE
FormulaC15 H22 N2 O9 S . Br H
1Identification
【Name】
2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREA HYDROBROMIDE
【CAS】
【MDL】
MFCD00058238
【English Synonyms】
【Formula】
C15 H22 N2 O9 S . Br H
【MolWeight】
487.322
【Inchi】
InChI=1S/C15H22N2O9S.BrH/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)27-15(16)17;/h10-14H,5H2,1-4H3,(H3,16,17);1H/t10-,11-,12+,13-,14+;/m1./s1
【InChIKey】
InChIKey=QNVDHERXTIAGPT-SXQUUHMTSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br
【MOL File】
2-(2,3,4,6-TETRA-O-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:11
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREA HYDROBROMIDE.cml