Maltitol

Details

• Internal ID: 9821b9a9-f6d4-4824-902b-61b3f11346ab
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• SMILES (Canonical): C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O
• 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-WUJBLJFYSA-N
• Popularity: 758 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₄O₁₁
• Molecular Weight: 344.31 g/mol
• Exact Mass: 344.13186158 g/mol
• Topological Polar Surface Area (TPSA): 201.00 Ų
• XlogP: -5.20

Synonyms

• 585-88-6
• D-Maltitol
• Maltisorb
• Amalty MR 100
• Malbit
• Maltit
• 4-O-alpha-D-Glucopyranosyl-D-glucitol
• Malti Mr
• Lycasin hbc
• D-Glucitol, 4-O-a-D-glucopyranosyl-
• Maltisweet 3145
• Sweetpearl p 200
• Cerestar 16303
• Malbit ch 16385
• Maltitol (D-Maltitol)
• Maltidex ch 16385
• D-4-O-alpha-D-Glucopyranosylglucitol
• MLS000069503
• D65DG142WK
• INS NO.965(I)
• CHEBI:68428
• INS-965(I)
• (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• E-965(I)
• SMR000058608
• alpha-D-glucopyranosyl-(1->4)-D-glucitol
• (2S,3R,4R,5R)-4-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol
• Amalty
• Maltitol [BAN:NF]
• MFCD00006600
• UNII-D65DG142WK
• delta-Maltitol
• HSDB 7971
• Maltitol (NF)
• EINECS 209-567-0
• BRN 0089983
• Maltitol, >=98%
• MALTITOL [INCI]
• Opera_ID_636
• MALTITOL [FCC]
• MALTITOL [II]
• MALTITOL [MART.]
• MALTITOL [USP-RS]
• D-Glucopyranosyl-D-glucitol
• SCHEMBL15108
• 5-17-07-00145 (Beilstein Handbook Reference)
• MLS001148576
• CHEMBL63558
• MALTITOL [EP MONOGRAPH]
• DTXSID0044444
• 4-O-a-glucopyranosyl-D-sorbitol
• VQHSOMBJVWLPSR-WUJBLJFYSA-N
• HMS2234B21
• alpha-D-Glc-(1->4)-D-Glc-ol
• HY-B2122
• alpha-D-Glcp-(1->4)-D-Glc-ol
• s3950
• AKOS030573282
• alpha-D-glucosyl-(1->4)-D-glucitol
• CCG-267963
• SMP1_000186
• CS-15369
• D-Glucitol, 4-O-alpha-D-glucopyranosyl-
• E965
• CS-0020280
• D-Glucitol, 4--O-.alpha.-D-glucopyranosyl
• delta-4-O-alpha-delta-Glucopyranosylglucitol
• Glucitol, 4-O-alpha-D-glucopyranosyl-, D-
• M0601
• M0797
• 4-O-alpha-delta-Glucopyranosyl-delta-glucitol
• D04845
• Q423882
• SR-01000759231
• Q-101038
• SR-01000759231-4
• Maltitol, European Pharmacopoeia (EP) Reference Standard
• Maltitol, United States Pharmacopeia (USP) Reference Standard
• Maltitol, Pharmaceutical Secondary Standard; Certified Reference Material
• (2S,3R,4R,5R)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexane-1,2,3,5,6-pentaol
• (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
• (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,5,6-pentol
• (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.42%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.49%	91.11%
CHEMBL3589	P55263	Adenosine kinase	89.03%	98.05%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.39%	86.92%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.31%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.20%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.35%	97.25%
CHEMBL4040	P28482	MAP kinase ERK2	81.60%	83.82%
CHEMBL2094135	Q96BI3	Gamma-secretase	81.52%	98.05%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.42%	99.17%

Plants that contains it

• Arabidopsis thaliana
• Lotus corniculatus

Cross-Links

• PubChem: 493591
• LOTUS: LTS0084687
• wikiData: Q423882