306-08-1 Purity
98%
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Specification
The molecular formula is C14H20ClNO8.
The molecular weight is 365.76 g/mol.
The IUPAC name is [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate.
Some synonyms include ALPHA-ACETOCHLORO-D-GLUCOSAMINE and 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-alpha-D-glucopyranosyl chloride.
The Canonical SMILES is CC(=O)NC1C(C(C(OC1Cl)COC(=O)C)OC(=O)C)OC(=O)C.
The InChIKey is NAYYKQAWUWXLPD-KSTCHIGDSA-N.
There is 1 hydrogen bond donor count.
The XLogP3 value is 0.8.
The topological polar surface area is 117 2.
There are 5 defined atom stereocenter counts.