1-Chloro-1-deoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside - CAS 64644-65-1

Catalog:	BB055478
Product Name:	1-Chloro-1-deoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside
CAS:	64644-65-1
Synonyms:	1,4-Dichloro-1,4-dideoxygalactosucrose; 1-Chloro-1-deoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside; Sucralose impurity D [EP]; SUCRALOSE IMPURITY D [EP IMPURITY]; alpha-D-Galactopyranoside, 1-chloro-1-deoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-; (2R,3R,4R,5R,6R)-5-chloro-2-[(2R,3S,4S,5R)-2-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

Technical Data

IUPAC Name:	(2R,3R,4R,5R,6R)-5-chloro-2-[(2R,3S,4S,5R)-2-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
Molecular Weight:	379.19
Molecular Formula:	C12H20Cl2O9
Canonical SMILES:	C(C1C(C(C(O1)(CCl)OC2C(C(C(C(O2)CO)Cl)O)O)O)O)O
InChI:	InChI=1S/C12H20Cl2O9/c13-3-12(10(20)7(17)5(2-16)22-12)23-11-9(19)8(18)6(14)4(1-15)21-11/h4-11,15-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
InChI Key:	ZHNOFXKPCMIXDU-QBMZZYIRSA-N

Complexity:	403
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	9
Defined Bond Stereocenter Count:	0
Exact Mass:	378.0484376
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	378.0484376
Rotatable Bond Count:	5
Topological Polar Surface Area:	149Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.3