AG00393V

585-86-4 | (2S,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol

AG00393V

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CAS Number	585-86-4
Catalog Number	AG00393V(AGN-PC-0SQ4KH)
Chemical Name	(2S,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol
EC Number	209-566-5
IUPAC Name	(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
InChI	InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
InChI Key	VQHSOMBJVWLPSR-JVCRWLNRSA-N
MDL Number	MFCD00150767
Molecular Formula	C12H24O11
Molecular Weight	344.3124
NSC Number	760415
SMILES	[C@@H]1([C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)O[C@@H]([C@@H]([C@H](CO)O)O)[C@H](O)CO
UNII	L2B0WJF7ZY
Synonyms	4-O-beta-D-galactopyranosyl-D-glucitol, Emportal, Importal, lactitol, Neda Lactiv Importal, Oponaf, lactitol, 585-86-4, lactitolum, Importal, 4-O-beta-D-Galactopyranosyl-D-glucitol, UNII-L2B0WJF7ZY, L2B0WJF7ZY, Lactosit, CHEBI:75323, Lactitolum [INN-Latin], DSSTox_CID_24247, DSSTox_RID_80133, DSSTox_GSID_44247, Lacty, CCRIS 7077, Miruhen, Lactit, EINECS 209-566-5, NSC 231323, CAS-585-86-4, Lactitol [INN:BAN:NF], Lacitol, D-lactitol, HSDB 7970, NCGC00166295-01, Importal (TN), D-Glucitol, 4-O-beta-D-galactopyranosyl-, Lactitol (NF/INN), LACTITOL ANHYDROUS, AC1L4HUX, SCHEMBL3849, CHEMBL1661, Lactitol, analytical standard, DTXSID9044247, HMS3264E13, Pharmakon1600-01301027, ZINC5225520, Tox21_112397, MFCD00079407, NSC760415, AKOS030228540, Tox21_112397_1, API0003108, CCG-213712, DB12942, NSC-760415, D-Glucitol, 4-O-b-D-galactopyranosyl-, NCGC00263893-02, AJ-53635, beta-D-galactopyranosyl-(1->4)-D-glucitol, LS-194228, LS-194557, FT-0627647, D08266, AB00698230_06, W-109090, BRD-K40787673-001-02-1, 262A7827-24F7-47EE-B528-3AF52CA860CE, WURCS=2.0/2,2,1/[h2122h][a2112h-1b_1-5]/1-2/a4-b1, (2S,3R,4R,5R)-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexane-1,2,3,5,6-pentaol, (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol, (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol, lactositol, lactiobiosit, lactite, lactobiosit, lactulose, Emportal, Oponaf, Lactitol monohydrate, Neda Lactiv Importal, D-Lactitol monohydrate, Lactitol [BAN:INN], Lactitol [INN:BAN], beta-galactoside sorbitol, LACTITOLMONOHYDRATE, C12H24O11, CID157355, MFCD00150767, C12-H24-O11, D-glucitol, 4-O-beta-D-galactopiranosil-, D-Glucitol, 4-O-.beta.-D-galactopyranosyl-, C014635, O(C1OC(CO)C(O)C(O)C1O)C(C(O)CO)C(O)C(O)CO, 81025-04-9,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	344.132g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	344.313g/mol
Monoisotopic Mass	344.132g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	201A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-5.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number