Tricoumaroyl spermidine

Catalog Number	ACM364368183
CAS Number	364368-18-3
Synonyms	(E)-3-(4-Hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]prop-2-enamide
Molecular Weight	583.7
InChI	InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+
InChI Key	PFDVWJCSCYDRMZ-AUCPOXKISA-N
Purity	95%+
Complexity	926
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	583.26823591
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=C(C=C3)O)O
Monoisotopic Mass	583.26823591
PhysicalState	Powder
Rotatable Bond Count	15
Topological Polar Surface Area	139 Ų

Custom Q&A

What is the chemical formula of tricoumaroyl spermidine?

The chemical formula of tricoumaroyl spermidine is C34H37N3O6.

What is the molecular weight of tricoumaroyl spermidine?

The molecular weight of tricoumaroyl spermidine is 583.67408.

What is the melting point of tricoumaroyl spermidine?

The melting point of tricoumaroyl spermidine is 176-180 °C.

What is the boiling point of tricoumaroyl spermidine?

The boiling point of tricoumaroyl spermidine is 954.2±65.0 °C (Predicted).

What is the density of tricoumaroyl spermidine?

The density of tricoumaroyl spermidine is 1.265±0.06 g/cm3 (Predicted).

What is the pKa value of tricoumaroyl spermidine?

The pKa value of tricoumaroyl spermidine is 9.77±0.15 (Predicted).

How is tricoumaroyl spermidine defined according to ChEBI?

Tricoumaroyl spermidine is defined as a spermidine hydroxycinnamic acid conjugate in which each nitrogen of spermidine has entered into amide bond formation with a molecule of 4-coumaric acid. It is functionally related to a 4-coumaric acid.

What is the chemical structure of tricoumaroyl spermidine?

The chemical structure of tricoumaroyl spermidine is a spermidine molecule with three p-coumaric acid molecules attached through amide bonds.

Are there any known specific properties or functions associated with tricoumaroyl spermidine?

Tricoumaroyl spermidine is a spermidine hydroxycinnamic acid conjugate that may have specific biological or chemical functions related to its structure and composition.

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