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154226-60-5

154226-60-5 | 6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-, (1R,4R,5S)-

CAS No: 154226-60-5 Catalog No: AG001OEF MDL No:MFCD01076526

Product Description

Catalog Number:
AG001OEF
Chemical Name:
6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-, (1R,4R,5S)-
CAS Number:
154226-60-5
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
MDL Number:
MFCD01076526
IUPAC Name:
(1R,4R,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
InChI:
InChI=1S/C10H15NO4/c1-4(2)6(12)10-7(15-9(10)14)5(3)8(13)11-10/h4-7,12H,1-3H3,(H,11,13)/t5-,6+,7+,10-/m1/s1
InChI Key:
FWPWHHUJACGNMZ-NBBQQVJHSA-N
SMILES:
CC([C@@H]([C@]12NC(=O)[C@@H]([C@@H]2OC1=O)C)O)C

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

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