6-[hydroxy(14C)methyl]oxane-2,3,4,5-tetrol

• ChemBase ID: 131783
• Molecular Formular: C6H12O6
• Molecular Mass: 182.14842199
• Monoisotopic Mass: 182.06663009
• SMILES: [14CH2](C1C(C(C(C(O1)O)O)O)O)O
• Canonical SMILES: O[14CH2]C1OC(O)C(C(C1O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/i1+2
• InChIKey: WQZGKKKJIJFFOK-NJFSPNSNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[hydroxy(^1^4C)methyl]oxane-2,3,4,5-tetrol
• IUPAC Traditional name: 6-[hydroxy(^1^4C)methyl]oxane-2,3,4,5-tetrol
• Synonyms: D-Glucose-UL-14C

Database IDs

• CAS Number: 815-92-9
• MDL Number: MFCD00151487
• PubChem SID: 162226060; 24895170
• PubChem CID: 16211884

CALCULATED PROPERTIES

• Acid pKa: 11.298101
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -2.93254
• LogD (pH = 7.4): -2.932594
• Log P: -2.9325392
• Molar Refractivity: 35.9234 cm^3
• Polarizability: 15.155883 Å^3
• Polar Surface Area: 110.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: aqueous solution
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: R
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• RID/ADR: UN 2910 7
• Storage Temperature: -20°C

Product Information

• Extent of Labeling: 2-10 mCi per mmol
• Shipped in: dry ice

DETAILS

Sigma Aldrich - G4395

包装
Combi-vial