Home Carboxys P-Nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate

P-Nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate

CAS No.:
74288-40-7
Catalog Number:
AG0036JB
Molecular Formula:
C16H16N2O7
Molecular Weight:
348.3074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$78
- +
25g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0036JB
Chemical Name:
P-Nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate
CAS Number:
74288-40-7
Molecular Formula:
C16H16N2O7
Molecular Weight:
348.3074
MDL Number:
MFCD08458409
IUPAC Name:
(4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI:
InChI=1S/C16H16N2O7/c1-8(19)13-11-6-12(20)14(17(11)15(13)21)16(22)25-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11,13-14,19H,6-7H2,1H3/t8-,11-,13-,14?/m1/s1
InChI Key:
YBIDYTOJOXKBLO-USLOAXSXSA-N
SMILES:
C[C@H]([C@@H]1[C@H]2CC(=O)C(N2C1=O)C(=O)OCc1ccc(cc1)[N+](=O)[O-])O
EC Number:
616-072-7
Properties
Complexity:
594  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
348.096g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.311g/mol
Monoisotopic Mass:
348.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties