Ligularizine

Catalog Number	ACM90364924
CAS Number	90364-92-4
Molecular Weight	423.5
InChI	InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21/m1/s1
InChI Key	RNNVXCSFOWGBQP-LJUHYIOWSA-N
Purity	95%+
Complexity	792
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	423.18931688
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@@H]1CC2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@@]1(C)OC(=O)C)C
Monoisotopic Mass	423.18931688
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	112 Ų

Custom Q&A

What is the chemical formula for Ligularizine?

The chemical formula for Ligularizine is C21H29NO8.

What is the molecular weight of Ligularizine?

The molecular weight of Ligularizine is 423.46 g/mol.

What is the CAS number for Ligularizine?

The CAS number for Ligularizine is 90364-92-4.

What are some synonyms for Ligularizine?

Some synonyms for Ligularizine include Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione, 7-(acetyloxy)-3',6,7,14-tetramethyl-, (1R,2'R,3'R,6R,7S)-.

What is the predicted boiling point of Ligularizine?

The predicted boiling point of Ligularizine is 626.3 ± 55.0 °C.

What is the predicted density of Ligularizine?

The predicted density of Ligularizine is 1.27 ± 0.1 g/cm3.

What is the predicted pKa value for Ligularizine?

The predicted pKa value for Ligularizine is 6.73 ± 0.70.

What is the molecular structure of Ligularizine?

The molecular structure of Ligularizine is Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione, 7-(acetyloxy)-3',6,7,14-tetramethyl-, (1R,2'R,3'R,6R,7S)-.

What is the molar mass of Ligularizine?

The molar mass of Ligularizine is 423.46 g/mol.

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