Sutherlandin trans-p-coumarate

Catalog Number	ACM315236681
CAS Number	315236-68-1
Synonyms	Sutherlandin-5-trans-p-coumarate
Molecular Weight	421.4
InChI	InChI=1S/C20H23NO9/c21-8-7-13(10-28-16(24)6-3-12-1-4-14(23)5-2-12)11-29-20-19(27)18(26)17(25)15(9-22)30-20/h1-7,15,17-20,22-23,25-27H,9-11H2/b6-3+,13-7-/t15-,17-,18+,19-,20-/m1/s1
InChI Key	JDEJUHBDYJVLND-DZXWJMGDSA-N
Purity	95%+
Complexity	662
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	421.13728131
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)OC/C(=C/C#N)/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Monoisotopic Mass	421.13728131
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	170 Ų

Custom Q&A

What is the product name of this compound?

The product name of this compound is Sutherlandin trans-p-coumarate.

What are some synonyms for Sutherlandin trans-p-coumarate?

Some synonyms for Sutherlandin trans-p-coumarate include Sutherlandin-5-trans-p-coumarate and β-D-Glucopyranoside.

What is the CAS number of Sutherlandin trans-p-coumarate?

The CAS number of Sutherlandin trans-p-coumarate is 315236-68-1.

What is the molecular formula of Sutherlandin trans-p-coumarate?

The molecular formula of Sutherlandin trans-p-coumarate is C20H23NO9.

What is the molecular weight of Sutherlandin trans-p-coumarate?

The molecular weight of Sutherlandin trans-p-coumarate is 421.4.

What is the predicted boiling point of Sutherlandin trans-p-coumarate?

The predicted boiling point of Sutherlandin trans-p-coumarate is 770.5±60.0 °C.

What is the predicted density of Sutherlandin trans-p-coumarate?

The predicted density of Sutherlandin trans-p-coumarate is 1.47±0.1 g/cm3.

What is the predicted pka value of Sutherlandin trans-p-coumarate?

The predicted pka value of Sutherlandin trans-p-coumarate is 9.65±0.15.

What is the chemical structure of Sutherlandin trans-p-coumarate?

The chemical structure of Sutherlandin trans-p-coumarate is (2E)-3-cyano-2-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-2-propen-1-yl.

What are some key chemical properties of Sutherlandin trans-p-coumarate?

Some key chemical properties of Sutherlandin trans-p-coumarate include its boiling point, density, and pka value.

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