Aurantiamide

Catalog Number	ACM58115314
CAS Number	58115-31-4
Synonyms	(S)-α-(Benzoylamino)-N-[(S)-1-(hydroxymethyl)-2-phenylethyl]benzenepropanamide
Molecular Weight	402.5
InChI	InChI=1S/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23-/m0/s1
InChI Key	KSVKECXWDNCRTM-GOTSBHOMSA-N
Purity	95%+
Complexity	521
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	402.1943427
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isomeric SMILES	C1=CC=C(C=C1)C[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Monoisotopic Mass	402.1943427
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	78.4 Ų

Custom Q&A

What is the chemical name of Aurantiamide?

The chemical name of Aurantiamide is α-(Benzoylamino)-N-[(S)-1-(hydroxymethyl)-2-phenylethyl]benzenepropanamide.

What are some synonyms for Aurantiamide?

Some synonyms for Aurantiamide are TMC-58B, (S)-α-(Benzoylamino)-N-[(S)-α-(hydroxymethyl)phenethyl]benzenepropanamide, and antiplatelet.

What is the CAS number for Aurantiamide?

The CAS number for Aurantiamide is 58115-31-4.

What is the molecular formula of Aurantiamide?

The molecular formula of Aurantiamide is C25H26N2O3.

What is the molecular weight of Aurantiamide?

The molecular weight of Aurantiamide is 402.49.

What is the boiling point of Aurantiamide?

The boiling point of Aurantiamide is predicted to be 723.6±60.0 °C.

What is the density of Aurantiamide?

The density of Aurantiamide is predicted to be 1.191±0.06 g/cm3.

What is the pka value of Aurantiamide?

The pka value of Aurantiamide is predicted to be 13.31±0.46.

Where is Aurantiamide isolated from?

Aurantiamide is one of two new amide-type alkaloids recently isolated from the seeds of Piper aurantiacurn.

How was the structure of Aurantiamide confirmed?

The structure of Aurantiamide was confirmed through chemical degradation, spectroscopic investigations, and synthesis, with the latter also establishing the absolute configuration.

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