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DATPαS, S pack

CAT: 1106-JBS-NU-426SSize: 100 µLDry Ice: NoHazardous: No
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CAT#:1106-JBS-NU-426SSize:100 µL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64145-28-4
Product Name Alternative
2′-Deoxyadenosine-5′- (α-thio) -triphosphate, Sodium salt; (1 : 1 Mixture of Rp and Sp isomers)
Certification
RUO
Type
Modified nucleotides
Purity
≥ 95 % (HPLC)
Molecular Formula
C 10 H 16 N 5 O 11 P 3 S (free acid)
Molecular Weight
507.24 (free acid)
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Colorless to slightly yellow solution
Formulation
Solution in water

Chemical Information

2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)

RN given refers to cpd without isomeric designation; structure.

CAS Number64145-28-4
PubChem CID196416
IUPAC Name[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O11P3S
Molecular Weight507.25
XLogP-2.7
Topological Polar Surface Area274
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity774
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+,29?/m0/s1
InChIKey
CCPIKNHZOWQALM-DLQJRSQOSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)
CAS: 64145-28-4
CID: 196416
Formula: C10H16N5O11P3S
MW: 507.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.25
XLogP3-2.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass506.97798851
Monoisotopic Mass506.97798851
Topological Polar Surface Area274 Ų
Heavy Atom Count30
Formal Charge0
Complexity774
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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