(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one

• ChemBase ID: 103519
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: O=C(CO)[C@H](O)[C@H](O)CO
• Canonical SMILES: OC[C@H]([C@H](C(=O)CO)O)O
• InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1
• InChIKey: ZAQJHHRNXZUBTE-NQXXGFSBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-1,3,4,5-tetrahydroxypentan-2-one
• IUPAC Traditional name: D-ribulose
• Synonyms: D-Adonose; D-RIBULOSE

Database IDs

• CAS Number: 488-84-6
• EC Number: 207-687-8
• PubChem SID: 162090610
• PubChem CID: 151261

CALCULATED PROPERTIES

• Acid pKa: 10.569923
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.6367006
• LogD (pH = 7.4): -2.6369903
• Log P: -2.636697
• Molar Refractivity: 31.599298 cm^3
• Polarizability: 12.73608 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C, Store Under Nitrogen

Product Information

• Purity: ~95%

DETAILS

MP Biomedicals - 02152028

Purity: ~95%
Important metabolite in ribitol biosynthesis.