Grantaline

Catalog Number	ACM83482615
CAS Number	83482-61-5
Molecular Weight	351.4
InChI	InChI=1S/C18H25NO6/c1-16(2)13-14(20)24-11-6-8-19-7-5-10(12(11)19)9-23-15(21)17(3,22)18(13,4)25-16/h5,11-13,22H,6-9H2,1-4H3/t11-,12-,13-,17+,18-/m1/s1
InChI Key	JPUZGSKXUFRIIX-XIKLWUPQSA-N
Purity	95%+
Complexity	673
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	351.16818752
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@]12[C@H](C(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(C)O)C(O2)(C)C
Monoisotopic Mass	351.16818752
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	85.3 Ų

Custom Q&A

What is the chemical formula of Grantaline?

The chemical formula of Grantaline is C18H25NO6.

What is the molecular weight of Grantaline?

The molecular weight of Grantaline is 351.4.

What is the boiling point of Grantaline?

The boiling point of Grantaline is predicted to be 567.6±50.0 °C.

What is the density of Grantaline?

The density of Grantaline is predicted to be 1.34±0.1 g/cm3.

What is the pKa value of Grantaline?

The pKa value of Grantaline is predicted to be 12.03±0.60.

What are some synonyms for Grantaline?

Some synonyms for Grantaline include Grantaline; 8H,11H-Oxeto[2',3':9,10][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-8,12(9H)-dione, 1,2,4,6,9a,11a,13a,13b-octahydro-, (9R,9aR,11aR,13aR,13bR)- (9CI).

What is the CAS number of Grantaline?

The CAS number of Grantaline is 83482-61-5.

What are some predicted properties of Grantaline?

Some predicted properties of Grantaline include boiling point, density, and pKa.

What are the various isomers of Grantaline?

Grantaline is known to have isomers including (9R,9aR,11aR,13aR,13bR)- Grantaline.

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