(2S,4S)-pentane-1,2,3,4,5-pentol

• ChemBase ID: 102231
• Molecular Formular: C5H12O5
• Molecular Mass: 152.14578
• Monoisotopic Mass: 152.06847348
• SMILES: OC[C@H](O)C(O)[C@@H](O)CO
• Canonical SMILES: OC[C@@H](C([C@H](CO)O)O)O
• InChI: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
• InChIKey: HEBKCHPVOIAQTA-IMJSIDKUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4S)-pentane-1,2,3,4,5-pentol
• IUPAC Traditional name: arabinitol
• Synonyms: D-(+)-ARABINITOL; D-(+)-Arabitol; L-(-)-Arabitol; L-Arabinitol; L-(-)-ARABITOL; L-ARABITOL; D-(+)-阿糖醇

Database IDs

• CAS Number: 7643-75-6; 488-82-4
• EC Number: 207-686-2; 231-582-6
• MDL Number: MFCD00004709; MFCD00064290
• Beilstein Number: 1720520; 1720521
• Merck Index: 14762
• PubChem SID: 162088419; 24890777
• PubChem CID: 439255

CALCULATED PROPERTIES

• Acid pKa: 12.760078
• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -3.099684
• LogD (pH = 7.4): -3.099686
• Log P: -3.099684
• Molar Refractivity: 32.4411 cm^3
• Polarizability: 13.261178 Å^3
• Polar Surface Area: 101.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-104°C; 101-104 °C(lit.); 101-104°C
• Optical Rotation: +132 (c=0.4 in acidified molybdate solution)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen, Protect from light
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; 99%
• Quality Level: PREMIUM

DETAILS

MP Biomedicals - 05207964

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100715

Crystalline

Sigma Aldrich - A3506

包装
10 mg in autosmp vl
10, 100 g in poly bottle
Application
L-Arabitol, a rare sugar alcohol, is being studied as a food additive that reduces fat deposits in the intestines. L-Arabitol is used as an inducer of xylanase expression in Hypocrea jecorina (Trichoderma reesei). L-Arabitol is used to identify, differentiate and characterize L-arabitol dehydrogenase(s).
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. A3506.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.