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8-Oxo-GTP

CAT: 0931-TSW-01091-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TSW-01091-01Size:10 mg
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CAS Number
21238-36-8
Target
ROS
Related Pathways
Immunology/Inflammation
Bioactivity
8-Oxo-GTP is an oxidized guanine nucleotide and serves as an important biomarker for oxidative stress.
Smiles
O=C1N(C2=C(N1)C(=O)N=C(N)N2)[C@@H]3O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@@H](O)[C@H]3O
Molecular Formula
C10H16N5O15P3
Molecular Weight
539.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-Hydroxyguanosine triphosphate
CAS Number21238-36-8
PubChem CID135509073
IUPAC Name[[(2R,3S,4R,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O15P3
Molecular Weight539.18
XLogP-7.4
Topological Polar Surface Area309
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity1070
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H16N5O15P3/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
InChIKey
JCHLKIQZUXYLPW-UMMCILCDSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyguanosine triphosphate
CAS: 21238-36-8
CID: 135509073
Formula: C10H16N5O15P3
MW: 539.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight539.18
XLogP3-7.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass538.98557581
Monoisotopic Mass538.98557581
Topological Polar Surface Area309 Ų
Heavy Atom Count33
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes