Products for Research Use Only
RegisterLogin

Xanthine-13C15N2

CAT: 0572-TRC-X499952-1MGSize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-X499952-1MGSize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1262670-81-4
Synonyms
3,9-Dihydro-1H-purine-2,6-dione-13C15N2; 1H,3H,7H-Xanthine-13C15N2; 1H,3H,9H-Xanthine-13C15N2; 1H-Purine-2,6-diol; 2,6-Dioxo-1,2,3,6-tetrahydropurine-13C15N2; 2,6-Dioxopurine-13C15N2; 3,9-Dihydro-1H-purine-2,6-dione-13C15N2; 3,9-Dihydropurine-2,6-dione-13C15N2; 9H-Purine-2,6(1H,3H)-dione-13C15N2; Isoxanthine-13C15N2; NSC 14664-13C15N2; Pseudoxanthine-13C15N2; Purine-2,6(1H,3H)-dione-13C15N2; Xan-13C15N2; Xanthic oxide-13C15N2; Xanthin-13C15N2
Hazard Statement
No Data Available
Smiles
O=C1C2=C(NC=N2)[15N]([H])[13C]([15N]1[H])=O
Molecular Formula
C4 13C H4 N2 15N2 O2
Molecular Weight
155.09
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)/i5+1,8+1,9+1
Additionnal Information
IUPAC name: 3,9-dihydro-1H-purine-2,6-dione-2-13C-1,3-15N2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Xanthine-13C15N2

See also: Xanthine (annotation moved to).

CAS Number1262670-81-4
PubChem CID131674207
IUPAC Name3,7-dihydropurine-2,6-dione
Molecular FormulaC5H4N4O2
Molecular Weight155.09
XLogP-0.7
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity217
SMILES
C1=NC2=C(N1)C(=O)[15NH][13C](=O)[15NH]2
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)/i5+1,8+1,9+1
InChIKey
LRFVTYWOQMYALW-XGOBPNGOSA-N
Chemical Structure
2D Structure
2D structure of Xanthine-13C15N2
CAS: 1262670-81-4
CID: 131674207
Formula: C5H4N4O2
MW: 155.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.09
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.03085001
Monoisotopic Mass155.03085001
Topological Polar Surface Area86.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity217
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A729792-25MGent-Aprepitant-13C15N2
TRC-M316867-5MGO-Methyloxime Guanosine-13C15N2
TRC-M316867-2.5MGO-Methyloxime Guanosine-13C15N2
TRC-M316867-1MGO-Methyloxime Guanosine-13C15N2
TRC-X499950-1GXanthine
TRC-X499950-5GXanthine
TRC-X499950-10GXanthine
TRC-F595002-25MG5-Fluoroorotic Acid Monohydrate-13C15N2
TRC-M338575-1G1-Methyl Xanthine
TRC-X499953-100MGXanthine Amine Congener

Alternative Products

CatalogName
sc-475611BXanthine-13C15N2
CS-O-40449Molnupiravir 13C15N2
461324O-Methyloxime Guanosine-13C15N2
1620025,6-Dihydro Uracil-13C15N2
sc-4907655-Fluoroorotic acid monohydrate-13C15N2
CS-O-578448-Bromo-2'-deoxyguanosine-13C15N2
40100388-3Xanthine

Popular Products