l-Threitol
Basic information
- CAS
2319-57-5- Standard SMILES
OC[C@H](O)[C@@H](O)CO- InChIKey
UNXHWFMMPAWVPI-IMJSIDKUSA-N- Molecular formula
- C4H10O4
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.0579088
Overview
L-threitol is the L-enantiomer of threitol. It has a role as an algal metabolite. It is an enantiomer of a D-threitol.
Names & identifiers
- Preferred name
- l-Threitol
- IUPAC
- (2S,3S)-butane-1,2,3,4-tetrol
- English name
- L-THREITOL
- Molecular formula
- C4H10O4
- Molecular weight
- 122.12
Names & synonyms
l-Threitol2319-57-5(2S,3S)-butane-1,2,3,4-tetrolCHEBI:42090RefChem:585114GlyTouCan:G34845TQG34845TQD-TREITOL(2s,3s)-butane-1,2,3,4-tetraolL-threo-tetritolL-TreitolMFCD00064294
Show more names
L(-)-THREITOLL-Threitol 98%laevo-erythritolL(-)-Threitol,98%L-THREITOL USP/EP/BP-Butane-1,2,3,4-tetraol
C4H10O4L-1,2,3,4-ButanetetrolL-Threitol, 99%SCHEMBL121807orb2941854SCHEMBL6935516DTXSID8013692997493-90-5
Database identifiers
- CAS
2319-57-5、7493-90-5- PubChem CID
- 445969
- DTXSID
DTXSID801369299- ChEBI
CHEBI:42090- EC Number
- 625-103-3、626-535-5
- Nikkaji
- J232.139D
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 48
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 87 · 87-90 °C(lit.)
- Boiling point
- 147.51 °C · 147.51°C (rough estimate)
- Density
- 1.0151 · 1.0151 (rough estimate)
- refractive index
- 1.4502 · 1.4502 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 13.27 · 13.27±0.20(Predicted)
- color
- White to Almost white
- optical activity
- 20 · [α]20/D +14°, c = 2 in ethanol
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2905490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
UsesL-Threitol is a useful synthetic intermediate. It was used to synthesize novel aza-sugar-based metalloproteinase MMP/ADAM inhibitors. It is also a diastereomer of Erythritol (E650100) which is a food additive.
Additional notes
DefinitionChEBI: L-threitol is the L-enantiomer of threitol. It has a role as an algal metabolite. It is an enantiomer of a D-threitol.
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Compound notes
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