Home Carbonyls (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate

CAS No.:
113850-71-8
Catalog Number:
AG019EPS
Molecular Formula:
C16H22INO5
Molecular Weight:
435.2540
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
5g
95%
In Stock USA
United States
$2646
- +
Product Description
Catalog Number:
AG019EPS
Chemical Name:
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate
CAS Number:
113850-71-8
Molecular Formula:
C16H22INO5
Molecular Weight:
435.2540
MDL Number:
MFCD28991824
IUPAC Name:
methyl (2S)-3-(3-iodo-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C16H22INO5/c1-16(2,3)23-15(20)18-12(14(19)22-5)9-10-6-7-13(21-4)11(17)8-10/h6-8,12H,9H2,1-5H3,(H,18,20)/t12-/m0/s1
InChI Key:
ZKEGIIYHOVXZKD-LBPRGKRZSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(c(c1)I)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
435.054g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
435.258g/mol
Monoisotopic Mass:
435.054g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties