(1R,4R,8R)-7-(Hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol

Catalog Number	ACM6870333
CAS Number	6870-33-3
Molecular Weight	342.39
InChI	InChI=1S/2C8H13NO3/c2*10-5-6-1-3-9(12)4-2-7(11)8(6)9/h2*1,7-8,10-11H,2-5H2/t2*7-,8-,9+/m11/s1
InChI Key	HQCZBENCWMGBQS-DJBHWWRKSA-N
Purity	95%+
Complexity	228
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	6
Exact Mass	342.17908655
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	C1C[N@+]2(CC=C([C@@H]2[C@@H]1O)CO)[O-].C1C[N@+]2(CC=C([C@@H]2[C@@H]1O)CO)[O-]
Monoisotopic Mass	342.17908655
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	117 Ų

Custom Q&A

What is the chemical name of Retronecine N-oxide?

The chemical name of Retronecine N-oxide is (1R,4R,8R)-7-(Hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol.

What are some synonyms of Retronecine N-oxide?

Some synonyms of Retronecine N-oxide include 1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, 4-oxide, (1R,4S,7aR)-.

What is the CAS number for Retronecine N-oxide?

The CAS number for Retronecine N-oxide is 6870-33-3.

What is the molecular formula of Retronecine N-oxide?

The molecular formula of Retronecine N-oxide is C8H13NO3.

What is the molecular weight of Retronecine N-oxide?

The molecular weight of Retronecine N-oxide is 171.19 g/mol.

What is the melting point of Retronecine N-oxide?

The melting point of Retronecine N-oxide is 214-215 °C (decomp).

What is the predicted pka value of Retronecine N-oxide?

The predicted pka value of Retronecine N-oxide is 13.66±0.40.

How many carbon atoms are present in the molecular formula of Retronecine N-oxide?

There are 8 carbon atoms present in the molecular formula of Retronecine N-oxide.

What functional groups are present in the chemical structure of Retronecine N-oxide?

The chemical structure of Retronecine N-oxide contains a hydroxymethyl group, an oxido group, and a pyrrolizin-4-ium-1-ol group.

What is the significance of the 1R, 4R, and 8R notation in the chemical name of Retronecine N-oxide?

The notation 1R, 4R, and 8R in the chemical name of Retronecine N-oxide indicates the stereochemistry of the molecule, specifying the positions of different substituents in the molecule.

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