6-Chloro-6-deoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside - CAS 55832-24-1
Catalog: |
BB055477 |
Product Name: |
6-Chloro-6-deoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside |
CAS: |
55832-24-1 |
Synonyms: |
4,6-Dichloro-4,6-dideoxygalactosucrose; Sucralose impurity E [EP]; 4,6'-Dichloro-4,6'-dideoxygalactosucrose; SUCRALOSE IMPURITY E [EP IMPURITY]; 6-Chloro-6-deoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside; alpha-D-Galactopyranoside, 6-chloro-6-deoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy- |
IUPAC Name: | (2R,3R,4R,5R,6R)-5-chloro-2-[(2S,3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol |
Molecular Weight: | 379.19 |
Molecular Formula: | C12H20Cl2O9 |
Canonical SMILES: | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CO)O)O)Cl)O |
InChI: | InChI=1S/C12H20Cl2O9/c13-1-4-7(17)10(20)12(3-16,22-4)23-11-9(19)8(18)6(14)5(2-15)21-11/h4-11,15-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 |
InChI Key: | CBVOUKZSNIOEJW-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: | 149Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.3 |
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