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

• ChemBase ID: 155719
• 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]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O)CO)O)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)O[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
• InChI: InChI=1S/C24H42O21/c25-1-5-9(29)13(33)14(34)22(40-5)44-19-11(31)7(3-27)42-24(16(19)36)45-20-12(32)8(4-28)41-23(17(20)37)43-18-10(30)6(2-26)39-21(38)15(18)35/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: OLBQXBHLZOAVSV-UKPDYPBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC Traditional name: (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• Synonyms: Laminaritetraose

Database IDs

• MDL Number: MFCD01862229
• PubChem SID: 162249857
• PubChem CID: 71312211

CALCULATED PROPERTIES

• Acid pKa: 11.190538
• 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

Physical Property

• Apperance: lyophilized powder

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (HPLC)
• Empirical Formula (Hill Notation): C24H42O21

DETAILS

Sigma Aldrich - L1789

Application
Used as a substrate for glucanases.