Methyl 2,3,4-triacetyl-D-glucopyranosiduronyl 1-(N-4-metoxyphenyl)-2,2,2-trifluoroacetimidate

CAS

918158-52-8

Catalog Number

ACM918158528

Category

Other Products

Molecular Formula

C₂₂H₂₄F₃NO₁₁

MSDS COA Spec Sheet

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Specification

Synonyms

D-Glucopyranuronic Acid Methyl Ester 2,3,4-Triacetate-1-[2,2,2-trifluoro -N-(4-methoxyphenyl)ethanimidate];Methyl 2,3,4-Triacetyl-D-glucopyranosiduronyl 1-(N-4-Metoxyphenyl)-2,2,2-trifluoroacetimidate

Appearance

Yellow-Orange Oil

What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl (3S,6S)-3,4,5-triacetyloxy-6-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]oxyoxane-2-carboxylate.

What is the molecular formula of the compound?

The molecular formula of the compound is C22H24F3NO11.

What is the molecular weight of the compound?

The molecular weight of the compound is 535.4 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H24F3NO11/c1-10(27)33-15-16(34-11(2)28)18(35-12(3)29)20(36-17(15)19(30)32-5)37-21(22(23,24)25)26-13-6-8-14(31-4)9-7-13/h6-9,15-18,20H,1-5H3/t15-,16?,17?,18,20-/m0/s1.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=NC2=CC=C(C=C2)OC)C(F)(F)F)C(=O)OC)OC(=O)C.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 15.

How many rotatable bonds does the compound have?

The compound has 12 rotatable bonds.

What is the exact mass of the compound?

The exact mass of the compound is 535.13014507 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.