bis(6-(hydroxymethyl)oxane-2,3,4,5-tetrol); 6-methyloxane-2,3,4,5-tetrol; bis(oxane-2,3,4,5-tetrol)

• ChemBase ID: 187991
• Molecular Formular: C28H56O27
• Molecular Mass: 824.72804
• Monoisotopic Mass: 824.30089653
• SMILES: C1(C(C(C(OC1O)C)O)O)O.C1(C(C(C(OC1O)CO)O)O)O.C1(C(C(C(OC1O)CO)O)O)O.C1(C(C(COC1O)O)O)O.C1(C(C(COC1O)O)O)O
• Canonical SMILES: OC1C(C)OC(C(C1O)O)O.OC1COC(C(C1O)O)O.OC1COC(C(C1O)O)O.OCC1OC(O)C(C(C1O)O)O.OCC1OC(O)C(C(C1O)O)O
• InChI: InChI=1S/2C6H12O6.C6H12O5.2C5H10O5/c2*7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3(7)4(8)5(9)6(10)11-2;2*6-2-1-10-5(9)4(8)3(2)7/h2*2-11H,1H2;2-10H,1H3;2*2-9H,1H2
• InChIKey: GXQYXYAAVLFQDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(6-(hydroxymethyl)oxane-2,3,4,5-tetrol); 6-methyloxane-2,3,4,5-tetrol; bis(oxane-2,3,4,5-tetrol)
• IUPAC Traditional name: 6-methyloxane-2,3,4,5-tetrol; bis(d-galactose); bis(xylose)

Database IDs

• PubChem SID: 164243901
• PubChem CID: 16396936

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: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Polymer (?n,
• Classification: Rare Derivatives of Natural Compounds