Home Other Building Blocks (S)-(-)-5-Fluorowillardiine hydrochloride

(S)-(-)-5-Fluorowillardiine hydrochloride

CAS No.:
1321546-70-6
Catalog Number:
AG009CFZ
Molecular Formula:
C7H9ClFN3O4
Molecular Weight:
253.6155
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$298
- +
50mg
99%
1 week
United States
$1040
- +
Product Description
Catalog Number:
AG009CFZ
Chemical Name:
(S)-(-)-5-Fluorowillardiine hydrochloride
CAS Number:
1321546-70-6
Molecular Formula:
C7H9ClFN3O4
Molecular Weight:
253.6155
MDL Number:
MFCD00909426
IUPAC Name:
(2S)-2-amino-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C7H8FN3O4.ClH/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12;/h1,4H,2,9H2,(H,13,14)(H,10,12,15);1H/t4-;/m0./s1
InChI Key:
TXWOAFHJFQTAEW-WCCKRBBISA-N
SMILES:
OC(=O)[C@H](Cn1cc(F)c(=O)[nH]c1=O)N.Cl
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
253.614g/mol
Monoisotopic Mass:
253.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties