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DTPT3TP

CAT: 0013-GTR19279840-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279840-02Size:10 mg
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Description
DTPT3TP is an unnatural nucleoside triphosphate. It can be utilized by TdT to extend ssDNA primers.
CAS Number
1472655-21-2
Smiles
S=C1N ([C@@H]2O[C@H] (COP (OP (OP (=O) (O) O) (=O) O) (=O) O) [C@@H] (O) C2) C=CC3=C1SC=C3
Molecular Formula
C12H16NO12P3S2
Molecular Weight
523.3
Notes
For research use only.

Chemical Information

((2R,3S,5R)-3-Hydroxy-5-(7-thioxothieno[2,3-c]pyridin-6(7H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
CAS Number1472655-21-2
PubChem CID146013917
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(7-sulfanylidenethieno[2,3-c]pyridin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular FormulaC12H16NO12P3S2
Molecular Weight523.3
XLogP-2.2
Topological Polar Surface Area253
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity850
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC3=C(C2=S)SC=C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C12H16NO12P3S2/c14-8-5-10(13-3-1-7-2-4-30-11(7)12(13)29)23-9(8)6-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-4,8-10,14H,5-6H2,(H,18,19)(H,20,21)(H2,15,16,17)/t8-,9+,10+/m0/s1
InChIKey
DYCHFPNIHWUDHY-IVZWLZJFSA-N
Chemical Structure
2D Structure
2D structure of ((2R,3S,5R)-3-Hydroxy-5-(7-thioxothieno[2,3-c]pyridin-6(7H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
CAS: 1472655-21-2
CID: 146013917
Formula: C12H16NO12P3S2
MW: 523.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight523.3
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass522.93267829
Monoisotopic Mass522.93267829
Topological Polar Surface Area253 Ų
Heavy Atom Count30
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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