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

• ChemBase ID: 102851
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: OC[C@H](O)[C@@H](O)[C@H](O)C=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+/m1/s1
• InChIKey: PYMYPHUHKUWMLA-WISUUJSJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S)-2,3,4,5-tetrahydroxypentanal
• IUPAC Traditional name: L(+)-xylose
• Synonyms: L-(-)-XYLOSE; L-(-)-Xylose; L-(-)-Xylose, mixture of anomers; L-(-)木糖; L-(-)-木糖（异构体混合物）

Database IDs

• CAS Number: 609-06-3
• EC Number: 210-174-1
• MDL Number: MFCD00151096
• Beilstein Number: 1723080
• PubChem SID: 24888212; 162090582
• PubChem CID: 95259

CALCULATED PROPERTIES

• Acid pKa: 11.871097
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.9380257
• LogD (pH = 7.4): -2.9380403
• 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: 150-152 °C(lit.); 150-152°C
• Optical Rotation: [α]20/D -20.0±1°, 24 hr, c = 10% in H2O; [α]24/D -18.7°, c = 4 in H2O

Safety Information

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

Product Information

• Purity: ≥99%; ≥99.0% (sum of enantiomers, HPLC); 99%
• Grade: for microbiology
• Ignition Residue: ≤0.1% (as SO4)
• Cation Traces: As: ≤0.1 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤200 mg/kg; sulfate (SO42-): ≤200 mg/kg
• Loss on Drying: ≤0.2% loss on drying, 110 °C
• Empirical Formula (Hill Notation): C5H10O5

DETAILS

MP Biomedicals - 02103302

Crystalline
Purity: 99%

Sigma Aldrich - 851590

Packaging
25 g in poly bottle
5 g in glass bottle