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Home > Other Heterocycles > 131580-36-4
131580-36-4 | 8-Azabicyclo[3.2.1]octane-1,2,3-triol, (1R,2S,3R,5R)-
CAS No: 131580-36-4 Catalog No: AG000ZGN MDL No:
Product Description
Catalog Number:
AG000ZGN
Chemical Name:
8-Azabicyclo[3.2.1]octane-1,2,3-triol, (1R,2S,3R,5R)-
CAS Number:
131580-36-4
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
(1R,2S,3R,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
InChI:
InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4-,5-,6+,7-/m1/s1
InChI Key:
XOCBOVUINUHZJA-MVIOUDGNSA-N
SMILES:
O[C@@H]1C[C@H]2CC[C@@]([C@H]1O)(N2)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Chiral pool synthesis of calystegine A3 from 2-deoxyglucose via a Brown allylation. | Carbohydrate research 20111227 |
| Electrophoretic determination of calystegines A3 and B2 in potato. | Journal of chromatography. A 20080215 |
| Glycoalkaloid and calystegine contents of eight potato cultivars. | Journal of agricultural and food chemistry 20030507 |
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