(1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate

Catalog Number	ACM34622258
CAS Number	34622-25-8
Structure
Synonyms	2-Benzoyloxy-3-hydroxynortropane
Molecular Weight	247.29
InChI	InChI=1S/C14H17NO3/c16-12-8-10-6-7-11(15-10)13(12)18-14(17)9-4-2-1-3-5-9/h1-5,10-13,15-16H,6-8H2/t10-,11+,12-,13-/m0/s1
InChI Key	VZXUJYNZOZXKOE-RNJOBUHISA-N
Purity	95%+
Complexity	314
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	247.1208434
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1C[C@@H]2[C@@H]([C@H](C[C@H]1N2)O)OC(=O)C3=CC=CC=C3
Monoisotopic Mass	247.1208434
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	58.6 Ų

Custom Q&A

What is the chemical formula for (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The chemical formula is C14H17NO3.

What is the molecular weight of (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The molecular weight is 247.29 g/mol.

What is the CAS number for (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The CAS number is 34622-25-8.

What is the boiling point of (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The boiling point is predicted to be 400.5±40.0 °C.

What is the predicted density of (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The density is predicted to be 1.26±0.1 g/cm3.

What is the predicted pka value of (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The pka value is predicted to be 13.94±0.40.

What are some synonyms for (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

Some synonyms include 2-Benzoyloxy-3-hydroxynortropane and 1αH,5αH-Nortropane-2α,3β-diol, 2-benzoate.

Are there any specific hazards or safety precautions mentioned for this compound in the reference?

No specific hazards or safety precautions are.

What is the stereochemistry of (1R,2S,3S,5S)-8-Azabicyclo[3.2.1]octane-2,3-diol 2-benzoate?

The stereochemistry is (1R,2S,3S,5S).

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