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DL-Willardiine

CAT: 1410-M28454-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28454-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DL-Willardiine is a chemical compound.
CAS Number
19772-76-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
199.164
Molecular Formula
C7H9N3O4
Notes
Research use only, not for human use.
Receptor
TRPC3

Chemical Information

DL-Willardiine

See also: Willardiine (annotation moved to).

CAS Number19772-76-0
PubChem CID5123
IUPAC Name2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
Molecular FormulaC7H9N3O4
Molecular Weight199.16
XLogP-4.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity312
SMILES
C1=CN(C(=O)NC1=O)CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)
InChIKey
FACUYWPMDKTVFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DL-Willardiine
CAS: 19772-76-0
CID: 5123
Formula: C7H9N3O4
MW: 199.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.16
XLogP3-4.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass199.05930578
Monoisotopic Mass199.05930578
Topological Polar Surface Area113 Ų
Heavy Atom Count14
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes