Rinderine N-oxide

Catalog Number	ACM137821160
CAS Number	137821-16-0
Molecular Weight	315.36
InChI	InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13-,15+,16/m1/s1
InChI Key	DNAWGBOKUFFVMB-ONKJOZRQSA-N
Purity	90%+
Complexity	479
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	315.16818752
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)[O-])O)O
Monoisotopic Mass	315.16818752
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	105 Ų

Custom Q&A

What is the chemical formula of Rinderine N-oxide?

The chemical formula of Rinderine N-oxide is C15H25NO6.

What is the molecular weight of Rinderine N-oxide?

The molecular weight of Rinderine N-oxide is 315.36.

What is the CAS number of Rinderine N-oxide?

The CAS number of Rinderine N-oxide is 137821-16-0.

What are some synonyms for Rinderine N-oxide?

Some synonyms for Rinderine N-oxide are Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)- and [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester, (2S,3R)-.

What are the chemical properties of Rinderine N-oxide?

The pKa of Rinderine N-oxide is 12.54±0.29 (predicted).

How is Rinderine N-oxide used?

Rinderine N-oxide is used as a genotoxic plant metabolite.

What type of alkaloid is Rinderine N-oxide?

Rinderine N-oxide is a pyrrolizidine alkaloid.

Is Rinderine N-oxide predicted to be acidic or basic?

Rinderine N-oxide is predicted to be basic with a pKa of 12.54.

What is the predicted pKa value of Rinderine N-oxide?

The predicted pKa value of Rinderine N-oxide is 12.54.

What is the structure of Rinderine N-oxide?

The structure of Rinderine N-oxide is [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester, (2S,3R)-.

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