sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid

3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid

CAS No.:
775314-99-3
Catalog Number:
AG019JTU
Molecular Formula:
C12H15NO6S
Molecular Weight:
301.3156
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019JTU
Chemical Name:
3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)propanoic acid
CAS Number:
775314-99-3
Molecular Formula:
C12H15NO6S
Molecular Weight:
301.3156
MDL Number:
MFCD06345759
IUPAC Name:
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
InChI:
InChI=1S/C12H15NO6S/c14-12(15)4-5-13-20(16,17)9-2-3-10-11(8-9)19-7-1-6-18-10/h2-3,8,13H,1,4-7H2,(H,14,15)
InChI Key:
MLOYLSJFWZFPEV-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.062g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
301.313g/mol
Monoisotopic Mass:
301.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties