Hydroxyethyl starch
- Iupac Name：(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;2-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
- CAS No.: 9005-27-0
- Molecular Weight：580.6
- Modify Date.: 2022-11-29 06:18
- Introduction:
Blood volume expander, used for rehydration of various operations, traumatic blood loss, toxic shock, etc.
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1. Names and Identifiers
- 1.1 Name
- Hydroxyethyl starch
- 1.2 Synonyms
2-Hydroxyethyl 2,3,4,6-tetrakis-O-(2-hydroxyethyl)-α-D-glucopyranoside - α-D-glucopyranose (1:1) MFCD00131356 α-D-Glucopyranoside, 2-hydroxyethyl 2,3,4,6-tetrakis-O-(2-hydroxyethyl)-, compd. with α-D-glucopyranose (1:1)
- 1.3 CAS No.
- 9005-27-0
- 1.4 CID
- 16213095
- 1.5 EINECS(EC#)
- 618-410-9
- 1.6 Molecular Formula
- C22H44O17 (isomer)
- 1.7 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
- 1.8 InChIkey
- DNZMDASEFMLYBU-RNBXVSKKSA-N
- 1.9 Canonical Smiles
- C(COCC1C(C(C(C(O1)OCCO)OCCO)OCCO)OCCO)O.C(C1C(C(C(C(O1)O)O)O)O)O
- 1.10 Isomers Smiles
- C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCO)OCCO)OCCO)OCCO)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
2. Properties
- 2.1 Boiling point
- 878.8°C at 760 mmHg
- 2.1 Flash Point
- 485.3°C
- 2.1 Precise Quality
- 580.257874
- 2.1 PSA
- 267
- 2.1 Storage
- -20°C
- 2.2 Chemical Properties
- DS 0.7;
- 2.3 Water Solubility
- Freely soluble in water and in dimethyl sulfoxide, practically insoluble in anhydrous ethanol. Hydroxyethyl starches are hygroscopic until they reach a water content of about 12 per cent to 15 per cent.
3. Use and Manufacturing
- 3.1 Usage
- blood volume expander
4. Safety and Handling
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 2
- 4.1 RTECS
- WI0410000
- 4.1 Safety
- Mildly toxic by intravenous route. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
5. Other Information
- 5.0 Manufacturing Info
- Starch, 2-hydroxyethyl ether: ACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
- 5.1 Use Classification
- EPA Safer Chemical Functional Use Classes -> Polymers|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
6. Computational chemical data
- Molecular Weight: 580.6g/mol
- Molecular Formula: C22H44O17
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 580.25784993
- Monoisotopic Mass: 580.25784993
- Complexity: 497
- Rotatable Bond Count: 17
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 17
- Topological Polar Surface Area: 267
- Heavy Atom Count: 39
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcfB4PgAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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8. Realated Product Infomation
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