2-[[3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]acetic Acid - CAS 693800-24-7
Catalog: |
BB076806 |
Product Name: |
2-[[3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]acetic Acid |
CAS: |
693800-24-7 |
Synonyms: |
Carboxymethyl 2-(acetylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-beta-D-glucopyranoside; 2-(((2R,3R,4R,5S,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetic acid; 2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyacetic acid |
IUPAC Name: | 2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyacetic acid |
Description: | 2-[[3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]acetic Acid works with silicon particles that are used as antibody for immunotherapy against human breast cancer cells. |
Molecular Weight: | 405.35 |
Molecular Formula: | C16H23NO11 |
Canonical SMILES: | CC(=O)NC1C(C(C(OC1OCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C |
InChI: | InChI=1S/C16H23NO11/c1-7(18)17-13-15(27-10(4)21)14(26-9(3)20)11(5-24-8(2)19)28-16(13)25-6-12(22)23/h11,13-16H,5-6H2,1-4H3,(H,17,18)(H,22,23)/t11-,13-,14-,15-,16-/m1/s1 |
InChI Key: | HVAIRZMRBOGXLF-JPIRQXTESA-N |
References: | Fenollosa, Roberto. et al., J. Nanobiotechnology.12, 35/1-35/10(2014). |
Complexity: | 620 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 5 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 405.12711055 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 405.12711055 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 164Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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