tris(6-(hydroxymethyl)oxane-2,3,4,5-tetrol)

• ChemBase ID: 188370
• Molecular Formular: C18H36O18
• Molecular Mass: 540.46764
• Monoisotopic Mass: 540.19016431
• SMILES: C1(C(C(C(OC1O)CO)O)O)O.C1(C(C(C(OC1O)CO)O)O)O.C1(C(C(C(OC1O)CO)O)O)O
• Canonical SMILES: OCC1OC(O)C(C(C1O)O)O.OCC1OC(O)C(C(C1O)O)O.OCC1OC(O)C(C(C1O)O)O
• InChI: InChI=1S/3C6H12O6/c3*7-1-2-3(8)4(9)5(10)6(11)12-2/h3*2-11H,1H2
• InChIKey: VACMHOMDCJVYLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(6-(hydroxymethyl)oxane-2,3,4,5-tetrol)
• IUPAC Traditional name: tris(d-galactose)

Database IDs

• PubChem SID: 164244280
• PubChem CID: 16397062

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: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Polymer (?n,m,l n+m+l=524
• Classification: Rare Derivatives of Natural Compounds