(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

• ChemBase ID: 72841
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: OC[C@H]([C@@H]([C@H](C=O)O)O)O
• Canonical SMILES: OC[C@H]([C@@H]([C@H](C=O)O)O)O
• InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
• InChIKey: PYMYPHUHKUWMLA-VPENINKCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
• IUPAC Traditional name: xylose
• Synonyms: D-Xylose; Xylose; Wood sugar; D-(+)-XYLOSE; DL-Xylose; (2R,3S,4R)-2,3,4,5-tetrahydroxypentanal; DL-木糖

Database IDs

• CAS Number: 25990-60-7; 6763-34-4; 58-86-6
• EC Number: 200-400-7; 247-395-8
• MDL Number: MFCD00151475; MFCD00198055
• Beilstein Number: 1723087
• PubChem SID: 162037762; 24902136
• PubChem CID: 644160

CALCULATED PROPERTIES

• Acid pKa: 12.332793
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.9380257
• LogD (pH = 7.4): -2.9380307
• Log P: -2.9380257
• Molar Refractivity: 31.3831 cm^3
• Polarizability: 12.73608 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless
• Melting Point: 133-136 °C; 154 - 158°C; 155-157°C
• Hydrophobicity(logP): -2.73

Safety Information

• Storage Condition: -20°C; Room Temperature (15-30°C)
• RTECS: ZF2285000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥99%; ≥99.0% (HPLC); 95%; 95+%; 98%
• Grade: purum
• Salt Data: Free Base
• Empirical Formula (Hill Notation): C5H10O5

DETAILS

MP Biomedicals - 02103300

Purity: 99+%
White crystals

Selleck Chemicals - S2124

Research Area: Metabolic Disease
Biological Activity:
Xylose is a sugar first isolated from wood. Xylose is classified as a monosaccharide of the aldopentose type, which means that it contains five carbon atoms and includes an aldehyde functional group. It is the precursor to hemicellulose, one of the main constituents of biomass. Like most sugars, it can adopt several structures depending on conditions. With its free carbonyl group, it is a reducing sugar. [1]

REFERENCES

• http://en.wikipedia.org/wiki/Xylose