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

• ChemBase ID: 102585
• Molecular Formular: C18H32O16
• Molecular Mass: 504.43708
• Monoisotopic Mass: 504.16903494
• SMILES: O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@@H]([C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CO)[C@H](O)CO
• Canonical SMILES: OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
• InChI: InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1
• InChIKey: RXVWSYJTUUKTEA-CGQAXDJHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5R)-4-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal
• IUPAC Traditional name: D-maltotriose
• Synonyms: D-MALTOTRIOSE; α-D-Glc-[1→4]-α-D-Glc[1→4]-D-Glc

Database IDs

• CAS Number: 1109-28-0
• EC Number: 214-174-2
• PubChem SID: 162090295
• PubChem CID: 92146

CALCULATED PROPERTIES

• Acid pKa: 11.548456
• H Acceptors: 16
• H Donor: 11
• LogD (pH = 5.5): -7.110032
• LogD (pH = 7.4): -7.1100626
• Log P: -7.110032
• Molar Refractivity: 102.172195 cm^3
• Polarizability: 42.88 Å^3
• Polar Surface Area: 276.52 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 132-135°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate

Product Information

• Purity: >97%; 95%

DETAILS

MP Biomedicals - 02102242

Very Hygroscopic
Purity: >97%

MP Biomedicals - 02155321

(α-D-Glc-[1→4]-α-D-Glc[1→4]-D-Glc) Purity: 95% Crystalline