Home Carbonyls Cis-5-(Tert-Butoxycarbonyl)-4,5,6,6A-Tetrahydro-3Ah-Pyrrolo[3,4-D]Isoxazole-3-Carboxylic Acid

Cis-5-(Tert-Butoxycarbonyl)-4,5,6,6A-Tetrahydro-3Ah-Pyrrolo[3,4-D]Isoxazole-3-Carboxylic Acid

CAS No.:
926649-64-1
Catalog Number:
AG019EQM
Molecular Formula:
C11H16N2O5
Molecular Weight:
256.2551
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
1g
95%
In Stock USA
United States
$1176
- +
5g
95%
In Stock USA
United States
$3528
- +
Product Description
Catalog Number:
AG019EQM
Chemical Name:
Cis-5-(Tert-Butoxycarbonyl)-4,5,6,6A-Tetrahydro-3Ah-Pyrrolo[3,4-D]Isoxazole-3-Carboxylic Acid
CAS Number:
926649-64-1
Molecular Formula:
C11H16N2O5
Molecular Weight:
256.2551
MDL Number:
MFCD31656848
IUPAC Name:
(3aR,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H16N2O5/c1-11(2,3)17-10(16)13-4-6-7(5-13)18-12-8(6)9(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)/t6-,7+/m0/s1
InChI Key:
GEEJYQIQKJTMJM-NKWVEPMBSA-N
SMILES:
O=C(N1C[C@H]2[C@@H](C1)ON=C2C(=O)O)OC(C)(C)C
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
256.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.258g/mol
Monoisotopic Mass:
256.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties