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Oncopterin

CAT: 0931-T33800-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T33800-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143460-23-5
Target
Others
Related Pathways
Others
Bioactivity
Oncopterin is found in urine from patients with solid and blood cancers.
Smiles
C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)NCCCN)O)O
Molecular Formula
C12H18N6O3
Molecular Weight
294.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oncopterin

found in urine from patients with solid & blood cancers; structure given in first source

CAS Number143460-23-5
PubChem CID135494248
IUPAC Name2-(3-aminopropylamino)-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one
Molecular FormulaC12H18N6O3
Molecular Weight294.31
XLogP-2.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity404
SMILES
C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)NCCCN)O)O
InChI
InChI=1S/C12H18N6O3/c1-6(19)9(20)7-5-15-10-8(16-7)11(21)18-12(17-10)14-4-2-3-13/h5-6,9,19-20H,2-4,13H2,1H3,(H2,14,15,17,18,21)/t6-,9-/m0/s1
InChIKey
BBFMPNKVCFIPPX-RCOVLWMOSA-N
Chemical Structure
2D Structure
2D structure of Oncopterin
CAS: 143460-23-5
CID: 135494248
Formula: C12H18N6O3
MW: 294.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.31
XLogP3-2.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass294.14403846
Monoisotopic Mass294.14403846
Topological Polar Surface Area146 Ų
Heavy Atom Count21
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19193245-01Oncopterin

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