| CAS Number | 54662-27-0 |
| Catalog Number | AG00DA5Z(AGN-PC-0OC3VB) |
| Chemical Name | (2R,3R,4R,5S)-6-((2-Hydroxyethyl)amino)hexane-1,2,3,4,5-pentaol |
| IUPAC Name | (2R,3R,4R,5S)-6-(2-hydroxyethylamino)hexane-1,2,3,4,5-pentol |
| InChI | InChI=1S/C8H19NO6/c10-2-1-9-3-5(12)7(14)8(15)6(13)4-11/h5-15H,1-4H2/t5-,6+,7+,8+/m0/s1 |
| InChI Key | VQSVOQJUFSROBP-LXGUWJNJSA-N |
| MDL Number | MFCD00134350 |
| Molecular Formula | C8H19NO6 |
| Molecular Weight | 225.2396 |
| SMILES | OCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| Synonyms | 54662-27-0,
1-DEOXY-1-(2-HYDROXYETHYLAMINO)-D-GLUCITOL,
n-(2-hydroxyethyl)glucamine,
(2R,3R,4R,5S)-6-((2-Hydroxyethyl)amino)hexane-1,2,3,4,5-pentaol,
VQSVOQJUFSROBP-LXGUWJNJSA-N,
N-(2-hydroxyethyl) glucamine,
SCHEMBL720003,
N-(beta-hydroxyethyl)-glucamine,
ZINC28630930,
1-Deoxy-1-(hydroxyethylamino)-D-glucitol,
1-[(2-Hydroxyethyl)amino]-1-deoxy-D-glucitol,
K-9839,
W-203062,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.241g/mol |
| Monoisotopic Mass | 225.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number