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Uracil-5,6-d2

CAT: 0572-TRC-U801006-2MGSize: 2 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-U801006-2MGSize:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24897-52-7
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]C1=C([2H])C(=O)NC(=O)N1
Molecular Formula
C4 D2 H2 N2 O2
Molecular Weight
114.1
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i1D,2D
Additionnal Information
IUPAC name: 5,6-dideuterio-1H-pyrimidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Uracil-5,6-D2
CAS Number24897-52-7
PubChem CID12212755
IUPAC Name5,6-dideuterio-1H-pyrimidine-2,4-dione
Molecular FormulaC4H4N2O2
Molecular Weight114.10
XLogP-1.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity161
SMILES
[2H]C1=C(NC(=O)NC1=O)[2H]
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i1D,2D
InChIKey
ISAKRJDGNUQOIC-QDNHWIQGSA-N
Chemical Structure
2D Structure
2D structure of Uracil-5,6-D2
CAS: 24897-52-7
CID: 12212755
Formula: C4H4N2O2
MW: 114.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.10
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.039830867
Monoisotopic Mass114.039830867
Topological Polar Surface Area58.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity161
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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