1,5-Anhydroglucitol
Basic information
- CAS
154-58-5- Standard SMILES
OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
MPCAJMNYNOGXPB-UHFFFAOYSA-N- Molecular formula
- C6H12O5
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06847348
Overview
1,5-anhydro-D-glucitol is an anhydro sugar of D-glucitol. It has a role as a human metabolite. It is functionally related to a D-glucitol.
Names & identifiers
- Preferred name
- 1,5-Anhydroglucitol
- IUPAC
- (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
- English name
- 1,5-ANHYDRO-D-GLUCITOL
- Molecular formula
- C6H12O5
- Molecular weight
- 164.16
Names & synonyms
1,5-Anhydro-D-glucitol154-58-51,5-Anhydroglucitol1,5-ANHYDROSORBITOL1,5-Anhydro-D-sorbitol1-Deoxy-D-glucopyranoseAceritol1-Deoxy-D-glucose(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol1-deoxyglucoseD-Glucitol, 1,5-anhydro-1,5-sorbitan
Show more names
Polygalitol1,5-anhydro-d-[UL-13C6]glucitol
D-glucose, 1-deoxy-54BB3B7XMZDTXSID10893389CHEBI:16070DTXSID6089337940026-07-1RefChem:907002GlyTouCan:G50990UV
Database identifiers
- CAS
154-58-5、40026-07-1- PubChem CID
- 64960
- DTXSID
DTXSID10893389- ChEMBL
CHEMBL344637- ChEBI
CHEBI:16070- UNII
- 54BB3B7XMZ、Y79RBL5ZLQ
- EC Number
- 103-373-9、205-829-3
- Nikkaji
- J11.394H
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Melting Point142 - 143 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 142 · 142-143
- alpha
- 20 · [α]D20 +40～+46° (c=0.8, H2O)
- Boiling point
- 376.8 · 376.8±42.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
- form
- crystalline
- pka
- 13.44 · 13.44±0.70(Predicted)
- color
- White to Off-White
- Water Solubility
- 49 · water: 49.00-51.00mg/mL, clear, colorless
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGANTIPLAQUEHUMECTANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Regulatory InformationD-Glucitol, 1,5-anhydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Applications
Uses1,5-Anhydro-D-sorbitol, a cyclic polyol, is a metabolic product of 1,5 anhydro-D-fructose. 1,5-Anhydro-D-sorbitol is used as a reference in analytical procedures that assess the metabolism of 1,5 anhydro-D-fructose, a food supplement with potential benefits as an antioxidant, antimicrobial, and antidiabetic agent.
Uses1,5-Anhydro-D-glucitol is used as a reference in analytical procedures that assess the metabolism of 1,5 anhydro-D-fructose, a food supplement with potential benefits as an antioxidant, antimicrobial, and antidiabetic agent.
UsesThis compound has been isolated from several plant and animal sources, discovered in human cerebrospinal fluid and blood plasma and found to be an inhibitor of several enzymes. Anhydroalditols are a class of reduced sugars which are present in many natural systems and which have been employed as synthesis intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: An anhydro sugar of D-glucitol.
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Compound notes
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