(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol

• ChemBase ID: 146452
• Molecular Formular: C6H12O4
• Molecular Mass: 148.15708
• Monoisotopic Mass: 148.07355886
• SMILES: COC1C[C@@H]([C@H](O1)CO)O
• Canonical SMILES: COC1C[C@@H]([C@H](O1)CO)O
• InChI: InChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6?/m0/s1
• InChIKey: NVGJZDFWPSOTHM-YRZWDFBDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
• IUPAC Traditional name: (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
• Synonyms: 1-O-Methyl-2-deoxy-D-ribose; Methyl 2-Deoxyribofuranoside; Methyl 2-Deoxy-D-erythro-pentofuranoside; Methyl 2-Deoxy-D-ribofuranoside; 1-O-甲基-2-脱氧-D-核糖

Database IDs

• CAS Number: 60134-26-1
• MDL Number: MFCD00134161
• PubChem SID: 162240648; 24861491
• PubChem CID: 10154128

CALCULATED PROPERTIES

• Log P: -0.7584397
• Molar Refractivity: 33.2014 cm^3
• Polarizability: 13.797927 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.865371
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7584397
• LogD (pH = 7.4): -0.75843984

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Golden Gummy Solid
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F
• Density: 1.224; 1.224 g/mL at 25 °C(lit.)
• Refractive Index: 1.4690; n20/D 1.47(lit.)
• Optical Rotation: +23 (c=1 in water)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C6H12O4

DETAILS

Sigma Aldrich - 349046

Packaging
1, 5 g in glass bottle