AG00IA02

56038-13-2 | 1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside

AG00IA02

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CAS Number	56038-13-2
Catalog Number	AG00IA02(AGN-PC-0SK70E)
Chemical Name	1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside
EC Number	259-952-2
IUPAC Name	(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
InChI	InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
InChI Key	BAQAVOSOZGMPRM-QBMZZYIRSA-N
MDL Number	MFCD03648615
Molecular Formula	C12H19Cl3O8
Molecular Weight	397.6335
NSC Number	759272
SMILES	Cl[C@@H]1[C@@H]([C@H]([C@@H](O[C@@]2(CCl)[C@@H](O)[C@H](O)[C@H](O2)CCl)O[C@@H]1CO)O)O
UNII	96K6UQ3ZD4
Synonyms	1',4',6'-trichloro-1',4,6'-trideoxygalactosucrose, 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl-4-chloro-4-deoxy-alpha-D-galactopyranoside, Splenda, sucralose, trichlorogalacto-sucrose, trichlorogalactosucrose, trichlorosucrose, Sucralose, 56038-13-2, Trichlorosucrose, Splenda, Aspasvit, Acucar Light, Trichlorogalacto-sucrose, 1',4,6'-Trichlorogalactosucrose, UNII-96K6UQ3ZD4, EINECS 259-952-2, BRN 3654410, 96K6UQ3ZD4, 1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside, Trichlorogalactosucrose, E955, 1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl-4-chloro-4-deoxy-alpha-D-galactopyranoside, CHEBI:32159, Sucralose [BAN], 4,1',6'-Trichloro-4,1',6'-trideoxy-galacto-sucrose, alpha-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-, DSSTox_CID_20245, DSSTox_RID_79457, DSSTox_GSID_40245, (2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol, MFCD03648615, (2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chloro-6-(hydroxymethyl)tetrahydropyran-3,4-diol, CAS-56038-13-2, Sucralose [BAN:NF], 1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactose, CCRIS 8449, Sucralose FCC, HSDB 7964, 4,1',6'-trichlorogalactosucrose, AC1Q3FKY, AC1L2G8R, SCHEMBL3686, Sucralose, analytical standard, CHEMBL3185084, DTXSID1040245, Sucralose 25% Liquid Concentrate, HMS2093H16, Pharmakon1600-01505953, (2R,3R,4R,5R,6R)-2-{[(2S,3R,4R,5R)-2,5-BIS(CHLOROMETHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]OXY}-5-CHLORO-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4-DIOL, HY-N0614, Sucralose, >=98.0% (HPLC), ZINC4654665, Tox21_113658, Tox21_201752, Tox21_303425, GC9213, NSC759272, s4214, AKOS015962432, CCG-213995, CRB0000959, CS-8130, NSC-759272, NCGC00249110-01, NCGC00249110-03, NCGC00249110-04, NCGC00257400-01, NCGC00259301-01, AN-40263, LS-71002, SC-16366, SBI-0206860.P001, TL8003643, FT-0082395, FT-0600377, A22902, C12285, K-9960, AB01563242_01, AB01563242_02, 038S132, C-36580, SR-05000001935, SR-05000001935-1, W-203112, BRD-K58968598-001-03-6, Sucralose, European Pharmacopoeia (EP) Reference Standard, Sucralose, United States Pharmacopeia (USP) Reference Standard, E955, 4,1',6'-Trichloro-4,1',6'-trideoxygalactosucrose, TGS, Splenda, Sucralose, Pharmaceutical Secondary Standard; Certified Reference Material, 1,6-Dichloro-1,6-dideoxy-|A-D-fructofuranosyl-4-chloro-4-deoxy-|A-D-galactopyranoside, 1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside, 1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl4-chloro-4-deoxy-alpha-d-gala;, a-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-b-D-fructofuranosyl4-chloro-4-deoxy-, WURCS=2.0/2,2,1/[ha122h-2b_2-5_1*Cl_6*Cl][a2112h-1a_1-5_4*Cl]/1-2/a2-b1, (2R,3R,4R,5R,6R)-2-((2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxytetrahydrofuran-2-yloxy)-5-chloro-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol, 40J, C12H19Cl3O8, Sucralose 98.0-102.0%, C12-H19-Cl3-O8, CID71485, CS-O-02366, B1840, C026285, 1',4',6'-trichloro-1',4,6'-trideoxygalactosucrose, .alpha.-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-.beta.-D-fructofuranosyl 4-chloro-4-deoxy-, 1-(1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl)-4-chloro-4-deoxy-alpha-D-galactopyranoside,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	396.015g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	397.626g/mol
Monoisotopic Mass	396.015g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number