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

Technical Data

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:	164Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3