Furafylline-d3

CAT: 1596-AR-F11043-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F11043-04Size:100 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

149981-47-5

Molecular Formula

C12H9D3N4O3

Molecular Weight

263.27

API Name

Furafylline

Chemical Information

Furafylline-d3

CAS Number	149981-47-5
PubChem CID	131667987
IUPAC Name	3-(furan-2-ylmethyl)-1-methyl-8-(trideuteriomethyl)-7H-purine-2,6-dione
Molecular Formula	C12H12N4O3
Molecular Weight	263.27
XLogP	0.6
Topological Polar Surface Area	82.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	402

SMILES

[2H]C([2H])([2H])C1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C

InChI

InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)/i1D3

InChIKey

KGQZGCIVHYLPBH-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 149981-47-5

CID: 131667987

Formula: C12H12N4O3

MW: 263.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.27
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	263.10977050
Monoisotopic Mass	263.10977050
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	402
Isotope Atom Count	3
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

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