Anadoline

Catalog Number	ACM28513293
CAS Number	28513-29-3
Structure
Synonyms	Anadoline N-oxide
Molecular Weight	397.5
InChI	InChI=1S/C20H31NO7/c1-5-12(2)19(24)27-10-13(3)18(23)14(4)20(25)28-11-15-6-8-21(26)9-7-16(22)17(15)21/h5-6,13-14,16-18,22-23H,7-11H2,1-4H3/b12-5+/t13,14-,16-,17-,18+,21/m1/s1
InChI Key	BIKQEQZZNGCJDA-KSIKZPOJSA-N
Purity	95%+
Complexity	659
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	397.21005233
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C=C(\C)/C(=O)OCC(C)[C@@H]([C@@H](C)C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O
Monoisotopic Mass	397.21005233
PhysicalState	Powder
Rotatable Bond Count	10
Topological Polar Surface Area	111 Ų

Custom Q&A

What is the chemical name of the compound with the synonym Anadoline?

The chemical name of the compound is (1R)-2,3,5,7aβ-Tetrahydro-1α-hydroxy-7-[[[(2R,3S)-3-hydroxy-2,4-dimethyl-5-[(E)-2-methyl-2-butenoyloxy]pentanoyl]oxy]methyl]-1H-pyrrolizine 4-oxide.

What is the molecular formula of Anadoline?

The molecular formula of Anadoline is C20H31NO7.

What is the molecular weight of Anadoline?

The molecular weight of Anadoline is 397.46 g/mol.

What is the CAS number of Anadoline?

The CAS number of Anadoline is 28513-29-3.

What is the predicted pka value of Anadoline?

The predicted pka value of Anadoline is 11.72 ± 0.29.

What are some synonyms of Anadoline?

Some synonyms of Anadoline are Anadoline N-oxide and 2-Butenoic acid, 2-methyl-, (1R,2S)-2-hydroxy-1,3-dimethyl-2-[[[(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methoxy]carbonyl]butyl ester, (2E)-.

What are the chemical properties of Anadoline?

The pka value of Anadoline is 11.72 ± 0.29.

Why is Anadoline also known as Anadoline N-oxide?

Anadoline is also known as Anadoline N-oxide due to its chemical structure containing an oxide group.

What is the stereochemistry of Anadoline?

The stereochemistry of Anadoline includes (1R) and (2R,3S) configurations.

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