Lactitol monohydrate
PubChem CID
3067270
Structure
Molecular Formula
Synonyms
- Lactitol monohydrate
- 81025-04-9
- D-Lactitol monohydrate
- Lactitol (monohydrate)
- Lactitol hydrate
Molecular Weight
362.33 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-09
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
(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;hydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H24O11.H2O/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;1H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-;/m0./s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
LXMBXZRLTPSWCR-XBLONOLSSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
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.O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H26O12
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Lactitol monohydrate
- 81025-04-9
- D-Lactitol monohydrate
- Lactitol (monohydrate)
- Lactitol hydrate
- UH2K6W1Y64
- DTXSID6047028
- pizensy
- (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;hydrate
- Lactitol hydrate (JAN)
- MFCD00150767
- LACTITOL HYDRATE [JAN]
- BLI-400
- (2S,3R,4R,5R)-4-(((2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol hydrate
- SMR000499577
- NSC-759131
- 4-O-beta-D-Galactopyranosyl-D-glucitol monohydrate
- UNII-UH2K6W1Y64
- Lactitol monohydrate; 4-O-(beta-d-Galactopyranosyl)-d-glucitol monohydrate
- Portolac (TN)
- MLS001076675
- MLS001361361
- MLS002207095
- SCHEMBL230581
- D-Glucitol, 4-O-beta-D-galactopyranosyl-, monohydrate
- D-Lactitol monohydrate, ~99%
- CHEMBL1200429
- DTXCID4027028
- HY-B1389R
- LACTITOL MONOHYDRATE [II]
- LACTITOL MONOHYDRATE [MI]
- HMS2231O06
- Lactitol (monohydrate) (Standard)
- HY-B1389
- Tox21_302283
- s5282
- LACTITOL MONOHYDRATE [WHO-DD]
- AKOS016000313
- CCG-268187
- CS-4859
- NSC 759131
- NCGC00256064-01
- AS-57306
- LACTITOL MONOHYDRATE [EP MONOGRAPH]
- CAS-81025-04-9
- D02039
- D70309
- Q27291076
- Lactitol, United States Pharmacopeia (USP) Reference Standard
- D-GLUCITOL, 4-O-.BETA.-D-GALACTOPYRANOSYL-, MONOHYDRATE
- Lactitol monohydrate, European Pharmacopoeia (EP) Reference Standard
- (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 hydrate
- (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 hydrate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
362.33 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
362.14242626 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
362.14242626 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
202 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
343
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
9
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
173.1 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Lactitol (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LXMBXZRLTPSWCR-XBLONOLSSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Lactitol monohydratehttps://commonchemistry.cas.org/detail?cas_rn=81025-04-9Lactitol dihydratehttps://commonchemistry.cas.org/detail?cas_rn=81025-03-8
- ChemIDplusLactitol monohydratehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0081025049ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxD-Lactitol monohydratehttps://comptox.epa.gov/dashboard/DTXSID6047028CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingLACTITOL MONOHYDRATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/UH2K6W1Y64
- CCSbaseCCSbase Classificationhttps://ccsbase.net/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- EU Clinical Trials Register
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlTherapeutic category of drugs in Japanhttp://www.genome.jp/kegg-bin/get_htext?br08301.kegUSP drug classificationhttp://www.genome.jp/kegg-bin/get_htext?br08302.kegAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.keg
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- NLM RxNorm TerminologyLICENSEThe RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.htmllactitol monohydratehttps://rxnav.nlm.nih.gov/id/rxnorm/1305520
- Springer Nature
- Wikidatalactitol monohydratehttps://www.wikidata.org/wiki/Q27291076
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 396863226https://pubchem.ncbi.nlm.nih.gov/substance/396863226
CONTENTS