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

• ChemBase ID: 109327
• Molecular Formular: C6H12O5
• Molecular Mass: 164.15648
• Monoisotopic Mass: 164.06847348
• SMILES: O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C
• Canonical SMILES: O=C[C@@H]([C@@H]([C@H]([C@@H](O)C)O)O)O
• InChI: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1
• InChIKey: PNNNRSAQSRJVSB-BXKVDMCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
• IUPAC Traditional name: L-rha; 6-deoxy-L-mannose
• Synonyms: 6-DESOXY-L-MANNOSE; isodulcit; alpha-L-Rhamnose; L-rhamnose; L-mannomethylose; alpha-L-Rha; alpha-L-Rhamnoside; alpha-L-rhamnosides; alpha-L-Mannomethylose; 6-deoxy-L-mannose; Rhamnose; L-Rhamnose; (2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal

Database IDs

• CAS Number: 10030-85-0; 3615-41-6; 10485-94-6
• PubChem SID: 162096241
• PubChem CID: 19233
• CHEBI ID: 16055
• Chemspider ID: 18150
• DrugBank ID: DB01869
• KEGG ID: C00507
• Unique Ingredient Identifier: QN34XC755A
• Wikipedia Title: Rhamnose

CALCULATED PROPERTIES

• Acid pKa: 12.305727
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.5214508
• LogD (pH = 7.4): -2.521456
• Log P: -2.5214505
• Molar Refractivity: 35.8019 cm^3
• Polarizability: 14.534815 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91–93 °C (monohydrate)
• Density: 1.41 g/mL

Product Information

• Purity: 95+%; 97%

DETAILS

MP Biomedicals - 05210653

MP Biomedicals Rare Chemical collection