(1R,2R,3S,4R)-1-[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]pentane-1,2,3,4,5-pentol

• ChemBase ID: 287292
• Molecular Formular: C10H20O10
• Molecular Mass: 300.2598
• Monoisotopic Mass: 300.10564684
• SMILES: OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
• Canonical SMILES: OC[C@H]([C@@H]([C@H]([C@H]([C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O)O)O)O)O
• InChI: InChI=1S/C10H20O10/c11-1-2(12)3(13)4(14)6(16)9-7(17)5(15)8(18)10(19)20-9/h2-19H,1H2/t2-,3+,4-,5+,6-,7+,8+,9-,10?/m1/s1
• InChIKey: GFZAAVRPJUGYBN-TXTGRIDOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,3S,4R)-1-[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]pentane-1,2,3,4,5-pentol
• IUPAC Traditional name: (1R,2R,3S,4R)-1-[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]pentane-1,2,3,4,5-pentol
• Synonyms: (1R,2R,3S,4R)-1-((2R,3S,4S,5S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-yl)pentane-1,2,3,4,5-pentaol

Database IDs

• CAS Number: 641-74-7
• MDL Number: MFCD10698761
• PubChem SID: 180672823
• PubChem CID: 70700334

CALCULATED PROPERTIES

• Acid pKa: 11.272336
• H Acceptors: 10
• H Donor: 9
• LogD (pH = 5.5): -5.45388
• LogD (pH = 7.4): -5.453937
• Log P: -5.453879
• Molar Refractivity: 59.7734 cm^3
• Polarizability: 25.21744 Å^3
• Polar Surface Area: 191.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%