(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 2-{[(2R,3R,4S,5R,6S)-4,5,6-tris(2-hydroxyethoxy)-2-[(2-hydroxyethoxy)methyl]oxan-3-yl]oxy}ethan-1-ol

• ChemBase ID: 127752
• Molecular Formular: C22H44O17
• Molecular Mass: 580.57456
• Monoisotopic Mass: 580.25784995
• SMILES: O(CCO)[C@H]1O[C@@H]([C@@H](OCCO)[C@H](OCCO)[C@H]1OCCO)COCCO.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
• Canonical SMILES: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O.OCCOC[C@H]1O[C@H](OCCO)[C@@H]([C@H]([C@@H]1OCCO)OCCO)OCCO
• InChI: InChI=1S/C16H32O11.C6H12O6/c17-1-6-22-11-12-13(23-7-2-18)14(24-8-3-19)15(25-9-4-20)16(27-12)26-10-5-21;7-1-2-3(8)4(9)5(10)6(11)12-2/h12-21H,1-11H2;2-11H,1H2/t12-,13-,14+,15-,16+;2-,3-,4+,5-,6+/m11/s1
• InChIKey: DNZMDASEFMLYBU-RNBXVSKKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 2-{[(2R,3R,4S,5R,6S)-4,5,6-tris(2-hydroxyethoxy)-2-[(2-hydroxyethoxy)methyl]oxan-3-yl]oxy}ethan-1-ol
• IUPAC Traditional name: 2-{[(2R,3R,4S,5R,6S)-4,5,6-tris(2-hydroxyethoxy)-2-[(2-hydroxyethoxy)methyl]oxan-3-yl]oxy}ethanol; α-glucose
• Synonyms: Hydroxyethyl starch; Hydroxyethyl starch; Hydroxyethylated amylopectin; Hetastarch; Hydroxyethyl starch; 2-Hydroxyethyl starch; 羟乙基淀粉

Database IDs

• CAS Number: 68512-26-5; 9005-27-0
• MDL Number: MFCD00131356
• PubChem SID: 162222070; 24870249; 24895739
• PubChem CID: 16213095
• ATC CODE: B05AA07
• Chemspider ID: 17340832
• Unique Ingredient Identifier: 875Y4127EA
• Wikipedia Title: Hydroxyethyl_starch

CALCULATED PROPERTIES

• Acid pKa: 14.420379
• H Acceptors: 11
• H Donor: 5
• LogD (pH = 5.5): -3.1674168
• LogD (pH = 7.4): -3.1674168
• Log P: -3.1674168
• Molar Refractivity: 91.1409 cm^3
• Polarizability: 37.07123 Å^3
• Polar Surface Area: 156.53 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 268 °C (dec.)(lit.)
• Density: 1.5 g/mL at 25 °C(lit.)

Safety Information

• RTECS: WI0410000
• German water hazard class: 2; 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Admin Routes: Intravenous
• Excretion: Renal
• Half Life: 1.4 hrs

Product Information

• Concentration: 6% in 0.9% NaCl
• Sterility: aseptically filled
• Linear Formula: (C22H44O17)n

DETAILS

Sigma Aldrich - H6382

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
General description
Degree of substitution; Average of 1 -OH group per 10 glucose units converted to -OCH2CH2OH.
Linkage
The similar Hetastarch (q.v.) is substituted to the extent of 7-8 groups per 10 glucose units.
Preparation Note
Prepared from corn starch

Sigma Aldrich - 465143

Application
Paper coating binder.
Packaging
500 g in poly bottle