Structure

Pandamarilactonine a

CAS
303008-80-2
Catalog Number
ACM303008802
Category
Other Products
Molecular Weight
317.4
Molecular Formula
C18H23NO4

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Specification

InChI
InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16-/m1/s1
InChI Key
HSICZNIIIPFAAO-UPYRFZFASA-N
Density
5mg 10mg 20 mg
Complexity
602
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
317.16270821
Heavy Atom Count
23
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Isomeric SMILES
CC1=C[C@@H](OC1=O)[C@H]2CCCN2CCC/C=C\3/C=C(C(=O)O3)C
Monoisotopic Mass
317.16270821
Physical Description
Oil
Physical State
Oil
Rotatable Bond Count
5
Topological Polar Surface Area
55.8 Ų
What is Pandamarilactonine A's molecular formula?

The molecular formula of Pandamarilactonine A is C18H23NO4.

What is the molecular weight of Pandamarilactonine A?

The molecular weight of Pandamarilactonine A is 317.38.

What is the CAS number of Pandamarilactonine A?

The CAS number of Pandamarilactonine A is 303008-80-2.

What are the synonyms for Pandamarilactonine A?

The synonyms for Pandamarilactonine A are 2(5H)-Furanone, 5-[4-[(2R)-2-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-pyrrolidinyl]butylidene]-3-methyl-, (5Z)-.

What is the predicted boiling point of Pandamarilactonine A?

The predicted boiling point of Pandamarilactonine A is 543.2±45.0 °C.

What is the predicted density of Pandamarilactonine A?

The predicted density of Pandamarilactonine A is 1.245±0.06 g/cm3.

What is the predicted pka of Pandamarilactonine A?

The predicted pka of Pandamarilactonine A is 8.61±0.40.

How many atoms are in the chemical structure of Pandamarilactonine A?

The chemical structure of Pandamarilactonine A contains a total of 18 carbon, 23 hydrogen, 1 nitrogen, and 4 oxygen atoms.

What is the stereochemistry of Pandamarilactonine A?

Pandamarilactonine A has a specific stereochemistry, indicated by the (2R) and (5Z) designations in its chemical structure.

What type of compound is Pandamarilactonine A?

Pandamarilactonine A is a furanone derivative compound.

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