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DGTPαS

CAT: 0013-GTR19207348Size: 100 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19207348Size:100 µL
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Description
DGTPαS
CAS Number
82337-56-2
Product Name Alternative
2'-Deoxyguanosine-5'- (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
Nc1[nH]c (=O) c2c (n ([C@H]3C[C@@H] ([C@H] (O3) COP (=S) (O) OP (=O) (O) OP (=O) (O) O) O) cn2) n1
Molecular Formula
C10H16N5O12P3S
Molecular Weight
Theoretical MW: 523.24 g/mol (free acid) ; Detected MW: 522.97 g/mol (free acid)
Storage Conditions
Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 252 nm, ε 13.7 L mmol-1 cm-1 (Tris-HCl, pH 7.5) .

Chemical Information

2'-Deoxyguanosine-5'-O-(1-Thiotriphosphate)
CAS Number82337-56-2
PubChem CID135446906
IUPAC Name[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O12P3S
Molecular Weight523.25
XLogP-3.9
Topological Polar Surface Area290
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity900
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H16N5O12P3S/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-30(23,31)27-29(21,22)26-28(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,31)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,30?/m0/s1
InChIKey
IOCRYHATDKHWPM-UMURPWKOSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxyguanosine-5'-O-(1-Thiotriphosphate)
CAS: 82337-56-2
CID: 135446906
Formula: C10H16N5O12P3S
MW: 523.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.25
XLogP3-3.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass522.97290313
Monoisotopic Mass522.97290313
Topological Polar Surface Area290 Ų
Heavy Atom Count31
Formal Charge0
Complexity900
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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