Cynaustraline

Catalog Number	ACM17958371-1
CAS Number	17958-37-1
Structure
Synonyms	(2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic acid [(1R,7aR)-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-/m0/s1
InChI Key	BWQSLRZZOVFVHJ-XPCVCDNBSA-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 formula of Cynaustraline?

The chemical formula of Cynaustraline is C15H27NO4.

What is the molecular weight of Cynaustraline?

The molecular weight of Cynaustraline is 285.38 g/mol.

What is the CAS number of Cynaustraline?

The CAS number of Cynaustraline is 17958-37-1.

What are some synonyms for Cynaustraline?

Some synonyms for Cynaustraline are (2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic acid and Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester.

What is the predicted boiling point of Cynaustraline?

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

What is the predicted density of Cynaustraline?

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

What is the predicted pka value of Cynaustraline?

The predicted pka value of Cynaustraline is 12.61±0.29.

How many hydroxyl groups does Cynaustraline have?

Cynaustraline has two hydroxyl groups.

What is the stereochemistry of Cynaustraline?

The stereochemistry of Cynaustraline is (2S,3S) and [(1R,7aR)].

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