40591-65-9 ,2-(2,3,4,6-O-四乙酰基-beta-D-葡萄糖)异硫脲氢溴酸盐,CAS:40591-65-9

40591-65-9,2-(2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl)thiopseudourea hydrobromide,
2-(2,3,4,6-O-四乙酰基-beta-D-葡萄糖)异硫脲氢溴酸盐,
CAS:40591-65-9
C15H23BrN2O9S / 487.32
MFCD00058238

2-(2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl)thiopseudourea hydrobromide

2-(2,3,4,6-O-四乙酰基-beta-D-葡萄糖)异硫脲氢溴酸盐,

CAS Number	40591-65-9
Product Name	2-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-2-thiopseudourea hydrobromide
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-carbamimidoylsulfanyloxan-2-yl]methyl acetate;hydrobromide
Molecular Formula	C15H23BrN2O9S
Molecular Weight	487.32 g/mol
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
InChI Key	QNVDHERXTIAGPT-SXQUUHMTSA-N
SMILES	CC(=O)OCC1C(C(C(C(O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br
Synonyms	2,3,4,6-Tetraacetate-1-thio-1-carbamimidate-β-D-glucopyranose Hydrobromide;S-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)isothiourea Hydrobromide; NSC 409734;
Canonical SMILES	CC(=O)OCC1C(C(C(C(O1)SC(=[NH2+])N)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
Isomeric SMILES	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC(=[NH2+])N)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]