Cytosine-5,6-d2

CAT: 0926-GEA39124-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GEA39124-01Size:10 mg

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CAS Number

106391-24-6

Smiles

[2H]C1=C ([2H]) C (=NC (=O) N1) N

Molecular Formula

C4H5N3O

Molecular Weight

113.11 g/mol

Controlled

Chemical Information

Cytosine-d2

See also: Cytosine (annotation moved to); 6-Amino(~15~N_2_)pyrimidin-2(1H)-one (annotation moved to).

CAS Number	106391-24-6
PubChem CID	136862895
IUPAC Name	6-amino-4,5-dideuterio-1H-pyrimidin-2-one
Molecular Formula	C4H5N3O
Molecular Weight	113.11
XLogP	-1.7
Topological Polar Surface Area	67.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	170

SMILES

[2H]C1=C(NC(=O)N=C1[2H])N

InChI

InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)/i1D,2D

InChIKey

OPTASPLRGRRNAP-QDNHWIQGSA-N

Chemical Structure

2D Structure

CAS: 106391-24-6

CID: 136862895

Formula: C4H5N3O

MW: 113.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	113.11
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	113.055815283
Monoisotopic Mass	113.055815283
Topological Polar Surface Area	67.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	170
Isotope Atom Count	2
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZAA89752-01	Uracil-5,6-d2
FV182409-01	5,6-trans-Vitamin d2
20-CS90	5-Methyl Cytosine antibody
ULA66092	3,4,5-Trihydroxybenzoic-2,6-d2 acid
FCA32068-01	Hexanoic-5,5-d2 acid
FC03781-01	Cytosine
JCA16410-01	Chlorobenzene-3,5-d2
RAA95438-01	Toluene-3,5-d2
NA10080-01	1- (β-D-Arabinofuranosyl) cytosine 5'-monophosphate
MBA96084-01	Benzoic-3,5-d2 acid