Home Sulfos D,L-Aspartic acid dibenzyl ester-p-toluenesulfonate

D,L-Aspartic acid dibenzyl ester-p-toluenesulfonate

CAS No.:
4079-62-3
Catalog Number:
AG00BZP5
Molecular Formula:
C25H27NO7S
Molecular Weight:
485.5494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$15
- +
5g
98%
In Stock USA
United States
$44
- +
25g
98%
In Stock USA
United States
$175
- +
100g
98%
In Stock USA
United States
$525
- +
500g
98%
In Stock USA
United States
$1575
- +
Product Description
Catalog Number:
AG00BZP5
Chemical Name:
D,L-Aspartic acid dibenzyl ester-p-toluenesulfonate
CAS Number:
4079-62-3
Molecular Formula:
C25H27NO7S
Molecular Weight:
485.5494
MDL Number:
MFCD00187195
IUPAC Name:
dibenzyl 2-aminobutanedioate;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)
InChI Key:
HLMUYZYLPUHSNV-UHFFFAOYSA-N
SMILES:
O=C(CC(C(=O)OCc1ccccc1)N)OCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
EC Number:
220-746-2
NSC Number:
602076
Properties
Complexity:
580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.151g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
485.551g/mol
Monoisotopic Mass:
485.151g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties