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DTTPαS

CAT: 0013-GTR19152648Size: 5 x 100 ulDry Ice: NoHazardous: No
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CAT#:0013-GTR19152648Size:5 x 100 ul
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Description
DTTPαS
CAS Number
18883-94-8
Product Name Alternative
2'-Deoxythymidine- (α-thio) -triphosphate, Sodium salt; (Mixture of Rp and Sp isomers)
Concentration
10 mM-11 mM
Purity
≥ 95% (HPLC)
Form
Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5
Smiles
O=P (O) (O) OP (=O) (OP (=S) (OC[C@@H]1[C@H] (C[C@H] (n2cc (C) c (=O) [nH]c2=O) O1) O) O) O
Molecular Formula
C10H17N2O13P3S
Molecular Weight
Theoretical MW: 498.23 g/mol (free acid) ; Detected MW: 497.97 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 267 nm, ε 9.6 L mmol-1 cm-1 (Tris-HCl, pH 7.5) .

Chemical Information

Thymidine 5'-O-(1-thiotriphosphate)
CAS Number18883-94-8
PubChem CID161258
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC10H17N2O13P3S
Molecular Weight498.24
XLogP-3.3
Topological Polar Surface Area254
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity858
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H17N2O13P3S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-28(21,29)25-27(19,20)24-26(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,29)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+,28?/m0/s1
InChIKey
PXHHTOSRELKWOE-MXWQNOQOSA-N
Chemical Structure
2D Structure
2D structure of Thymidine 5'-O-(1-thiotriphosphate)
CAS: 18883-94-8
CID: 161258
Formula: C10H17N2O13P3S
MW: 498.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.24
XLogP3-3.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass497.96642077
Monoisotopic Mass497.96642077
Topological Polar Surface Area254 Ų
Heavy Atom Count29
Formal Charge0
Complexity858
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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