Basic information
- CAS
2152-56-9- Standard SMILES
OC[C@@H](O)C(O)[C@H](O)CO- InChIKey
HEBKCHPVOIAQTA-QWWZWVQMSA-N- Molecular formula
- C5H12O5
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.06847348
Overview
D-arabinitol is the D-enantiomer of arabinitol. It is an enantiomer of a L-arabinitol.
Names & identifiers
- Preferred name
- D-Arabitol
- IUPAC
- (2R,4R)-pentane-1,2,3,4,5-pentol
- English name
- arabinitol
- Molecular formula
- C5H12O5
- Molecular weight
- 152.15
Names & synonyms
D-Arabinitol488-82-4D-ArabitolD-(+)-ArabitolD-Lyxitol(2R,4R)-pentane-1,2,3,4,5-pentolD-ArabinolArabinitol, D-DTXSID4045979BOA443XF1XDTXCID2025979CHEBI:18333
Show more names
DL-Arabitol >Einecs 218-440-9rel-(2R*,4R*)-Pentane-1,2,3,4,5-pentol
NSC-25288arabitol, (D)-RefChem:559045GlyTouCan:G07663YBG07663YB207-686-2DL-Arabitolarabitol
Database identifiers
- CAS
2152-56-9、488-82-4- PubChem CID
- 94154
- DTXSID
DTXSID4045979- ChEMBL
CHEMBL3186162- ChEBI
CHEBI:18333- UNII
- BOA443XF1X、YFV05Y57M9
- EC Number
- 207-686-2、218-440-9
- Nikkaji
- J12.591A
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 76.1
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesFusion temperature
Solubility729 mg/mL
Melting Point101 - 104 °C
Physical DescriptionSolid
Collision Cross Section
135.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
126.86 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 103 °C · 103°C
- Boiling point
- 194.6 °C · 194.6°C (rough estimate)
- Density
- 1.1497 · 1.1497 (rough estimate)
- refractive index
- 1.396 · 1.3960 (estimate)
- pka
- 13.24 · 13.24±0.20(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 678.5 g/L · 678.5g/L(25 ºC)
- Merck
- 14 · 14,762
- Henry's Law Constant
- 9.9 · 9.9×109 mol/(m3Pa) at 25℃, Qin et al. (2021)
- FDA UNII
- 5 Y57M9 · YFV05Y57M9
- HS Code
- 2905.49 · 2905.49.4000
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: D-Arabinitol
Other Safety InformationIMAP assessments - D-Arabinitol: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2905.49.4000
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationD-Arabinitol: ACTIVE
Applications
UsesDL-Arabitol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers14 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
BOC Sciences16314854226 · [email protected]
山东爱采生物科技有限公司13573016375 13573016375
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
江苏奥福生物科技有限公司18362074750 13914497230 · [email protected]
Additional notes
DefinitionChEBI: D-arabinitol is the D-enantiomer of arabinitol. It is an enantiomer of a L-arabinitol.
Related reactions
23 records
Compound notes
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