2,3,4,5,6-pentahydroxyhexanal

• ChemBase ID: 131565
• Molecular Formular: C6H12O6
• Molecular Mass: 180.15588
• Monoisotopic Mass: 180.0633881
• SMILES: C(C(C(C(C(C=O)O)O)O)O)O
• Canonical SMILES: OCC(C(C(C(C=O)O)O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
• InChIKey: GZCGUPFRVQAUEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5,6-pentahydroxyhexanal
• IUPAC Traditional name: dextrose
• Synonyms: L-Glucose-1-3H(N) solution

Database IDs

• MDL Number: MFCD00148914
• PubChem SID: 24895130; 162225843
• PubChem CID: 24749

CALCULATED PROPERTIES

• Acid pKa: 11.800943
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -3.5683608
• LogD (pH = 7.4): -3.5683777
• Log P: -3.5683606
• Molar Refractivity: 37.3456 cm^3
• Polarizability: 15.251392 Å^3
• Polar Surface Area: 118.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); R; Irritant (Xi)
• UN Number: 2910
• German water hazard class: 1
• Hazard Class: 7
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 10-20 Ci/mmol

DETAILS

Sigma Aldrich - G3524

包装
serum bottle
Physical form
Ethanol: water (9:1) solution