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

• ChemBase ID: 132808
• Molecular Formular: C24H42O21
• Molecular Mass: 666.57768
• Monoisotopic Mass: 666.22185836
• SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@H]([C@H](OC([C@@H]1O)O)CO)O)CO)CO)O)O)O)O)O
• Canonical SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)C(O)O[C@@H]([C@@H]2O)CO)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O)O
• InChI: InChI=1S/C24H42O21/c25-1-5-9(29)12(32)14(34)22(40-5)45-20-11(31)7(3-27)41-24(17(20)37)43-18-8(4-28)42-23(15(35)13(18)33)44-19-10(30)6(2-26)39-21(38)16(19)36/h5-38H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20+,21?,22-,23-,24+/m1/s1
• InChIKey: HEAHRYDVILRNFD-FGKFJTINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC Traditional name: galα1-3galβ1-4galα1-3gal
• Synonyms: α-D-Gal-(1→3)-β-D-Gal-(1→4)-α-D-Gal-(1→3)-D-Gal; 3-O-(4-O-[3-O-α-D-Galactopyranosyl-β-D-galactopyranosyl]-α-D-galactopyranosyl)-D-galactopyranose; 3α,4β,3α-Galactotetraose

Database IDs

• CAS Number: 56038-38-1
• MDL Number: MFCD01310876
• PubChem SID: 162227085
• PubChem CID: 46878602

CALCULATED PROPERTIES

• Acid pKa: 11.190488
• H Acceptors: 21
• H Donor: 14
• LogD (pH = 5.5): -8.245047
• LogD (pH = 7.4): -8.245116
• Log P: -8.245047
• Molar Refractivity: 133.1633 cm^3
• Polarizability: 56.598408 Å^3
• Polar Surface Area: 347.83 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥90%