(3S,4R,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol

• ChemBase ID: 132464
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: C([C@H]1[C@@H]([C@@H](C(O1)O)O)O)O
• Canonical SMILES: OC[C@@H]1OC([C@H]([C@H]1O)O)O
• InChI: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m0/s1
• InChIKey: HMFHBZSHGGEWLO-OWMBCFKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
• IUPAC Traditional name: L-ribofuranose
• Synonyms: L-(+)-Ribose

Database IDs

• CAS Number: 24259-59-4
• MDL Number: MFCD00167010
• Beilstein Number: 1723084
• PubChem SID: 24899368; 162226741
• PubChem CID: 11804933

CALCULATED PROPERTIES

• Acid pKa: 11.305696
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.3022048
• LogD (pH = 7.4): -2.3022583
• Log P: -2.3022044
• Molar Refractivity: 29.9609 cm^3
• Polarizability: 12.6405 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81-82 °C(lit.)

Safety Information

• RTECS: 246-110-4
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - R4377

包装
1, 5 g in poly bottle