dipotassium (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphate

• ChemBase ID: 105834
• Molecular Formular: C6H11K2O9P
• Molecular Mass: 336.316501
• Monoisotopic Mass: 335.94148192
• SMILES: [K+].[K+].O=P([O-])([O-])O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
• Canonical SMILES: OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H]([C@H]([C@@H]1O)O)O.[K+].[K+]
• InChI: InChI=1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3-,4+,5-,6-;;/m1../s1
• InChIKey: KCIDZIIHRGYJAE-PKXGBZFFSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphate
• IUPAC Traditional name: dipotassium α-D-glucose 1-phosphate(2-)
• Synonyms: α-D-GLUCOSE-1-PHOSPHATE DIPOTASSIUM SALT DIHYDRATE

Database IDs

• CAS Number: 5996-14-5
• PubChem SID: 162092614
• PubChem CID: 81217

CALCULATED PROPERTIES

• Acid pKa: 1.1553719
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -5.503452
• LogD (pH = 7.4): -6.614425
• Log P: -3.0561051
• Molar Refractivity: 44.5529 cm^3
• Polarizability: 19.553816 Å^3
• Polar Surface Area: 162.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209°C (dec.)

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 98%
• Salt Data: 2 K+
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 02194673

Cell Culture Reagent
Dihydrate
Dipotassium Salt
Purity: 98%