Home Other Building Blocks MYCOPHENOLIC ACID-D3

MYCOPHENOLIC ACID-D3

CAS No.:
1185242-90-3
Catalog Number:
AG008T29
Molecular Formula:
C17H17D3O6
Molecular Weight:
323.3556
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$423
- +
Product Description
Catalog Number:
AG008T29
Chemical Name:
MYCOPHENOLIC ACID-D3
CAS Number:
1185242-90-3
Molecular Formula:
C17H17D3O6
Molecular Weight:
323.3556
MDL Number:
MFCD30828717
IUPAC Name:
(E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
InChI:
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/i3D3
InChI Key:
HPNSFSBZBAHARI-HZIIEIAOSA-N
SMILES:
OC(=O)CC/C(=C/Cc1c(OC([2H])([2H])[2H])c(C)c2c(c1O)C(=O)OC2)/C
Properties
Complexity:
486  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
323.145g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
3  
Molecular Weight:
323.359g/mol
Monoisotopic Mass:
323.145g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties