Coromandaline

Catalog Number	ACM68473869
CAS Number	68473-86-9
Synonyms	(2R,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]methyl ester
Molecular Weight	285.38
InChI	InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15-/m1/s1
InChI Key	BWQSLRZZOVFVHJ-UKTARXLSSA-N
Purity	95%+
Complexity	360
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	285.19400834
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[C@H]([C@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)O
Monoisotopic Mass	285.19400834
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	70 Ų

Custom Q&A

What is the chemical name of the compound Coromandaline?

The chemical name of the compound Coromandaline is [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate.

What are some synonyms of Coromandaline?

Some synonyms of Coromandaline include Coromandeline and [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate.

What is the CAS number of Coromandaline?

The CAS number of Coromandaline is 68473-86-9.

What is the molecular formula of Coromandaline?

The molecular formula of Coromandaline is C15H27NO4.

What is the molecular weight of Coromandaline?

The molecular weight of Coromandaline is 285.38.

What is the predicted boiling point of Coromandaline?

The predicted boiling point of Coromandaline is 413.5±14.0 °C.

What is the predicted density of Coromandaline?

The predicted density of Coromandaline is 1.16±0.1 g/cm3.

What is the predicted pKa of Coromandaline?

The predicted pKa of Coromandaline is 12.61±0.29.

What is the stereochemistry of Coromandaline?

Coromandaline has a stereochemistry of (1R,8S) for the pyrrolizin-1-yl group and (2R) for the hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate group.

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