(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal

• ChemBase ID: 107846
• Molecular Formular: C18H32O16
• Molecular Mass: 504.43708
• Monoisotopic Mass: 504.16903494
• SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• Canonical SMILES: O=C[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O
• InChI: InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1
• InChIKey: FZWBNHMXJMCXLU-BLAUPYHCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal
• IUPAC Traditional name: dextran
• Synonyms: DEXTRAN, MW-86.000 (AVER.)

Database IDs

• CAS Number: 9004-54-0
• EC Number: 232-677-5
• PubChem SID: 162094883
• PubChem CID: 5460037

CALCULATED PROPERTIES

• Acid pKa: 11.587129
• H Acceptors: 16
• H Donor: 11
• LogD (pH = 5.5): -7.110032
• LogD (pH = 7.4): -7.11006
• Log P: -7.110032
• Molar Refractivity: 102.1722 cm^3
• Polarizability: 42.88 Å^3
• Polar Surface Area: 276.52 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: HH9230000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 05205195

MP Biomedicals Rare Chemical collection