(6R,8s)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8,9-triol

• ChemBase ID: 182580
• Molecular Formular: C7H10O6
• Molecular Mass: 190.1507
• Monoisotopic Mass: 190.04773804
• SMILES: C12[C@@H](C3[C@H](C(C1O)OC(O3)O2)O)O
• Canonical SMILES: OC1C2OC3OC1[C@@H](C([C@H]2O)O3)O
• InChI: InChI=1S/C7H10O6/c8-1-4-2(9)6-3(10)5(1)12-7(11-4)13-6/h1-10H/t1-,2-,3?,4?,5?,6?,7?/m1/s1
• InChIKey: WJJFNSGWGPSKAO-OFUIBILTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R,8s)-2,4,10-trioxatricyclo[3.3.1.1^3,^7]decane-6,8,9-triol
• IUPAC Traditional name: (6R,8s)-2,4,10-trioxatricyclo[3.3.1.1^3,^7]decane-6,8,9-triol

Database IDs

• PubChem SID: 164238490
• PubChem CID: 1268065

CALCULATED PROPERTIES

• Acid pKa: 12.5465
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.482837
• LogD (pH = 7.4): -1.48284
• Log P: -1.4828368
• Molar Refractivity: 36.3295 cm^3
• Polarizability: 15.710125 Å^3
• Polar Surface Area: 88.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds