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Thio-ITP

CAT: 0013-GTR19189035Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189035Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thio-ITP
CAS Number
27652-34-2
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Smiles
O[C@@H]1[C@@H] (COP (O) (=O) OP (O) (=O) OP (O) (O) =O) O[C@H] ([C@@H]1O) n1cnc2c1[nH]cnc2=S
Molecular Formula
C10H15N4O13P3S
Molecular Weight
524.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Mercaptopurine ribonucleoside triphosphate

6-Mercaptopurine ribonucleoside triphosphate is an organic molecule.

CAS Number27652-34-2
PubChem CID3036942
IUPAC Name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H15N4O13P3S
Molecular Weight524.23
XLogP-4.4
Topological Polar Surface Area284
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity886
SMILES
C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChIKey
GQNRDWAOABGWGP-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of 6-Mercaptopurine ribonucleoside triphosphate
CAS: 27652-34-2
CID: 3036942
Formula: C10H15N4O13P3S
MW: 524.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.23
XLogP3-4.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass523.95691871
Monoisotopic Mass523.95691871
Topological Polar Surface Area284 Ų
Heavy Atom Count31
Formal Charge0
Complexity886
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

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