Home Boronic acids 4-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronic acid pinacol ester

4-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronic acid pinacol ester

CAS No.:
335030-22-3
Catalog Number:
AG00D4Q6
Molecular Formula:
C21H32BNO6
Molecular Weight:
405.2929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$375
- +
5g
96%
In Stock USA
United States
$1375
- +
Product Description
Catalog Number:
AG00D4Q6
Chemical Name:
4-[2-Methoxycarbonyl-2-(BOC-amino)ethyl]phenylboronic acid pinacol ester
CAS Number:
335030-22-3
Molecular Formula:
C21H32BNO6
Molecular Weight:
405.2929
MDL Number:
MFCD16251714
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
InChI:
InChI=1S/C21H32BNO6/c1-19(2,3)27-18(25)23-16(17(24)26-8)13-14-9-11-15(12-10-14)22-28-20(4,5)21(6,7)29-22/h9-12,16H,13H2,1-8H3,(H,23,25)
InChI Key:
OGZJASWLLYAZIA-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
577  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.232g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.298g/mol
Monoisotopic Mass:
405.232g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties