(2R)-2,3-dihydroxypropanal

• ChemBase ID: 2267
• Molecular Formular: C3H6O3
• Molecular Mass: 90.07794
• Monoisotopic Mass: 90.03169405
• SMILES: OC[C@@H](O)C=O
• Canonical SMILES: O[C@@H](C=O)CO
• InChI: InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
• InChIKey: MNQZXJOMYWMBOU-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2,3-dihydroxypropanal
• IUPAC Traditional name: triose; (2r)-2,3-dihydroxypropanal
• Synonyms: (R)-(+)-Glyceraldehyde; D-Glyceraldehyde solution; D(+)-Glyceraldehyde solution; D-(+)-Glyceraldehyde; (2r)-2,3-Dihydroxypropanal; D-GLYCERALDEHYDE; (R)-(+)-甘油醛; D-甘油醛 溶液; D(+)-甘油醛 溶液; D-(+)-甘油醛

Database IDs

• CAS Number: 453-17-8; 367-47-5
• EC Number: 207-217-1
• MDL Number: MFCD00064378
• Beilstein Number: 1720474
• PubChem SID: 46508159; 160965720; 24873161
• PubChem CID: 79014

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8040695
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6773558
• LogD (pH = 7.4): -1.6773574
• Log P: -1.6773558
• Molar Refractivity: 19.4581 cm^3
• Polarizability: 7.7056212 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -1.63
• LOG S: 0.96
• Solubility (Water): 8.14e+02 g/l

PROPERTIES

Physical Property

• Apperance: liquid (viscous)
• Flash Point: 112 °C; 113 °C; 234 °F; 235.4 °F
• Refractive Index: n20/D 1.494
• Optical Rotation: [α]23/D +9.4°, c = 2 in H2O

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC); 95%
• Concentration: ≥70 wt. % in H2O
• Impurities: ≤10% water
• Linear Formula: HOCH2CH(OH)CHO
• Empirical Formula (Hill Notation): C3H6O3

DETAILS

MP Biomedicals - 05207015

MP Biomedicals Rare Chemical collection

DrugBank - DB02536

Drug information: experimental

Sigma Aldrich - 49800

Packaging
1, 5 g in glass bottle